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

Systemtic Name: N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide Openeye Name: N-[1-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-methylsulfanyl-propyl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide CAS Name: N-[1-[2-(hydroxymethyl)-1-pyrrolidinyl]-4-(methylthio)-1-oxobutan-2-yl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide IUPAC Name: N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide Traditional Name: 1-methyl-N-[1-(2-methylolpyrrolidine-1-carbonyl)-3-(methylthio)propyl]-9H-$b-carboline-3-carboxamide Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=N1)C(=O)NC(CCSC)C(=O)N3CCCC3CO)C4=CC=CC=C4N2

Isomeric SMILES

CC1=C2C(=CC(=N1)C(=O)NC(CCSC)C(=O)N3CCCC3CO)C4=CC=CC=C4N2

InChI

InChI=1S/C23H28N4O3S/c1-14-21-17(16-7-3-4-8-18(16)25-21)12-20(24-14)22(29)26-19(9-11-31-2)23(30)27-10-5-6-15(27)13-28/h3-4,7-8,12,15,19,25,28H,5-6,9-11,13H2,1-2H3,(H,26,29)