2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-N-(3-methylsulfanylphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: 2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-N-(3-methylsulfanylphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-N-(3-methylsulfanylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 2-(2-methoxyethyl)-3-(1-methyl-3-indolyl)-N-[3-(methylthio)phenyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-N-(3-methylsulfanylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 1-keto-2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-N-[3-(methylthio)phenyl]-3,4-dihydroisoquinoline-4-carboxamide Formula: C29H29N3O3S MolecularWeight: 499.62386

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C3C(C4=CC=CC=C4C(=O)N3CCOC)C(=O)NC5=CC(=CC=C5)SC

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C3C(C4=CC=CC=C4C(=O)N3CCOC)C(=O)NC5=CC(=CC=C5)SC

InChI

InChI=1S/C29H29N3O3S/c1-31-18-24(21-11-6-7-14-25(21)31)27-26(28(33)30-19-9-8-10-20(17-19)36-3)22-12-4-5-13-23(22)29(34)32(27)15-16-35-2/h4-14,17-18,26-27H,15-16H2,1-3H3,(H,30,33)