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

Systemtic Name: N-[(2S)-1-[(4-methoxyphenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide Openeye Name: N-[(1S)-1-[(4-methoxyphenyl)carbamoyl]-3-methylsulfanyl-propyl]-9H-pyrido[3,4-b]indole-3-carboxamide CAS Name: N-[(2S)-1-(4-methoxyanilino)-4-(methylthio)-1-oxobutan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide IUPAC Name: N-[(2S)-1-(4-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide Traditional Name: N-[(1S)-1-[(4-methoxyphenyl)carbamoyl]-3-(methylthio)propyl]-9H-$b-carboline-3-carboxamide Formula: C24H24N4O3S MolecularWeight: 448.53736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C(CCSC)NC(=O)C2=NC=C3C(=C2)C4=CC=CC=C4N3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)[C@H](CCSC)NC(=O)C2=NC=C3C(=C2)C4=CC=CC=C4N3

InChI

InChI=1S/C24H24N4O3S/c1-31-16-9-7-15(8-10-16)26-23(29)20(11-12-32-2)28-24(30)21-13-18-17-5-3-4-6-19(17)27-22(18)14-25-21/h3-10,13-14,20,27H,11-12H2,1-2H3,(H,26,29)(H,28,30)/t20-/m0/s1