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

Systemtic Name: 1-methyl-N-[4-methylsulfanyl-1-oxidanylidene-1-(1-oxidanylpropan-2-ylamino)butan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide Openeye Name: N-[1-[(2-hydroxy-1-methyl-ethyl)carbamoyl]-3-methylsulfanyl-propyl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide CAS Name: N-[1-(1-hydroxypropan-2-ylamino)-4-(methylthio)-1-oxobutan-2-yl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide IUPAC Name: N-[1-(1-hydroxypropan-2-ylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide Traditional Name: N-[1-[(2-hydroxy-1-methyl-ethyl)carbamoyl]-3-(methylthio)propyl]-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(CCSC)C(=O)NC(C)CO)C3=CC=CC=C3N2

Isomeric SMILES

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

InChI

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