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

Systemtic Name: 1-methyl-N-[4-methylsulfanyl-1-oxidanylidene-1-(pyridin-4-ylmethylamino)butan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide Openeye Name: 1-methyl-N-[3-methylsulfanyl-1-(4-pyridylmethylcarbamoyl)propyl]-9H-pyrido[3,4-b]indole-3-carboxamide CAS Name: 1-methyl-N-[4-(methylthio)-1-oxo-1-(pyridin-4-ylmethylamino)butan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide IUPAC Name: 1-methyl-N-[4-methylsulfanyl-1-oxo-1-(pyridin-4-ylmethylamino)butan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide Traditional Name: 1-methyl-N-[3-(methylthio)-1-(4-pyridylmethylcarbamoyl)propyl]-9H-$b-carboline-3-carboxamide Formula: C24H25N5O2S MolecularWeight: 447.5526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=N1)C(=O)NC(CCSC)C(=O)NCC3=CC=NC=C3)C4=CC=CC=C4N2

Isomeric SMILES

CC1=C2C(=CC(=N1)C(=O)NC(CCSC)C(=O)NCC3=CC=NC=C3)C4=CC=CC=C4N2

InChI

InChI=1S/C24H25N5O2S/c1-15-22-18(17-5-3-4-6-19(17)28-22)13-21(27-15)24(31)29-20(9-12-32-2)23(30)26-14-16-7-10-25-11-8-16/h3-8,10-11,13,20,28H,9,12,14H2,1-2H3,(H,26,30)(H,29,31)