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1-[(E)-[1-methyl-2-(4-methylphenyl)-3-indolyl]methylideneamino]-3-phenylthiourea

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1-[(E)-[1-methyl-2-(4-methylphenyl)-3-indolyl]methylideneamino]-3-phenylthiourea
SpectraBase Compound ID HSQyu4jwkYE
InChI InChI=1S/C24H22N4S/c1-17-12-14-18(15-13-17)23-21(20-10-6-7-11-22(20)28(23)2)16-25-27-24(29)26-19-8-4-3-5-9-19/h3-16H,1-2H3,(H2,26,27,29)/b25-16+
InChIKey MELHKCXRAYRNCV-PCLIKHOPSA-N
Mol Weight 398.53 g/mol
Molecular Formula C24H22N4S
Exact Mass 398.156518 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ae8Cu4fkqm
Name 1-[(E)-[1-Methyl-2-(4-methylphenyl)-3-indolyl]methylideneamino]-3-phenylthiourea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.156517898 u
Formula C24H22N4S
InChI InChI=1S/C24H22N4S/c1-17-12-14-18(15-13-17)23-21(20-10-6-7-11-22(20)28(23)2)16-25-27-24(29)26-19-8-4-3-5-9-19/h3-16H,1-2H3,(H2,26,27,29)/b25-16+
InChIKey MELHKCXRAYRNCV-PCLIKHOPSA-N
Molecular Weight 398.528 g/mol
SMILES C1(=C(N(C)C2=C1C=CC=C2)C1=CC=C(C=C1)C)\C=N\NC(NC1=CC=CC=C1)=S