N-[(2S)-1-[(4-methylphenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide

Systemtic Name: N-[(2S)-1-[(4-methylphenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide Openeye Name: N-[(1S)-3-methylsulfanyl-1-(p-tolylmethylcarbamoyl)propyl]-9H-pyrido[3,4-b]indole-3-carboxamide CAS Name: N-[(2S)-1-[(4-methylphenyl)methylamino]-4-(methylthio)-1-oxobutan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide IUPAC Name: N-[(2S)-1-[(4-methylphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide Traditional Name: N-[(1S)-1-[(4-methylbenzyl)carbamoyl]-3-(methylthio)propyl]-9H-$b-carboline-3-carboxamide Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(CCSC)NC(=O)C2=NC=C3C(=C2)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H](CCSC)NC(=O)C2=NC=C3C(=C2)C4=CC=CC=C4N3

InChI

InChI=1S/C25H26N4O2S/c1-16-7-9-17(10-8-16)14-27-24(30)21(11-12-32-2)29-25(31)22-13-19-18-5-3-4-6-20(18)28-23(19)15-26-22/h3-10,13,15,21,28H,11-12,14H2,1-2H3,(H,27,30)(H,29,31)/t21-/m0/s1