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

Systemtic Name: 1-methyl-N-[1-[(4-methylsulfanyl-1-oxidanyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide Openeye Name: N-[2-[[1-(hydroxymethyl)-3-methylsulfanyl-propyl]amino]-1-methyl-2-oxo-ethyl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide CAS Name: N-[1-[[1-hydroxy-4-(methylthio)butan-2-yl]amino]-1-oxopropan-2-yl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide IUPAC Name: N-[1-[(1-hydroxy-4-methylsulfanylbutan-2-yl)amino]-1-oxopropan-2-yl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide Traditional Name: N-[2-keto-1-methyl-2-[[1-methylol-3-(methylthio)propyl]amino]ethyl]-1-methyl-9H-$b-carboline-3-carboxamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=N1)C(=O)NC(C)C(=O)NC(CCSC)CO)C3=CC=CC=C3N2

Isomeric SMILES

CC1=C2C(=CC(=N1)C(=O)NC(C)C(=O)NC(CCSC)CO)C3=CC=CC=C3N2

InChI

InChI=1S/C21H26N4O3S/c1-12-19-16(15-6-4-5-7-17(15)25-19)10-18(22-12)21(28)23-13(2)20(27)24-14(11-26)8-9-29-3/h4-7,10,13-14,25-26H,8-9,11H2,1-3H3,(H,23,28)(H,24,27)