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N-(4-methylphenyl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-carbothioamide

View entire compound with spectra: 2 NMR

N-(4-methylphenyl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-carbothioamide
SpectraBase Compound ID 8lwBA61Cyxt
InChI InChI=1S/C19H19N3S/c1-13-6-8-14(9-7-13)20-19(23)22-11-10-18-16(12-22)15-4-2-3-5-17(15)21-18/h2-9,21H,10-12H2,1H3,(H,20,23)
InChIKey QSVDUDFVWKUFQM-UHFFFAOYSA-N
Mol Weight 321.44 g/mol
Molecular Formula C19H19N3S
Exact Mass 321.129969 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ABF0d0bSK9W
Name N-(4-Methylphenyl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-B]indole-2-carbothioamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 321.129968798 u
Formula C19H19N3S
InChI InChI=1S/C19H19N3S/c1-13-6-8-14(9-7-13)20-19(23)22-11-10-18-16(12-22)15-4-2-3-5-17(15)21-18/h2-9,21H,10-12H2,1H3,(H,20,23)
InChIKey QSVDUDFVWKUFQM-UHFFFAOYSA-N
Molecular Weight 321.442 g/mol
SMILES N1C=2C(C=3CN(C(NC4=CC=C(C=C4)C)=S)CCC13)=CC=CC2