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

Systemtic Name: 3-(1H-indol-3-yl)-2-(2-methoxyethyl)-N-(3-methylsulfanylphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 3-(1H-indol-3-yl)-2-(2-methoxyethyl)-N-(3-methylsulfanylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 3-(1H-indol-3-yl)-2-(2-methoxyethyl)-N-[3-(methylthio)phenyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 3-(1H-indol-3-yl)-2-(2-methoxyethyl)-N-(3-methylsulfanylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 3-(1H-indol-3-yl)-1-keto-2-(2-methoxyethyl)-N-[3-(methylthio)phenyl]-3,4-dihydroisoquinoline-4-carboxamide Formula: C28H27N3O3S MolecularWeight: 485.59728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NC3=CC(=CC=C3)SC)C4=CNC5=CC=CC=C54

Isomeric SMILES

COCCN1C(C(C2=CC=CC=C2C1=O)C(=O)NC3=CC(=CC=C3)SC)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C28H27N3O3S/c1-34-15-14-31-26(23-17-29-24-13-6-5-10-20(23)24)25(21-11-3-4-12-22(21)28(31)33)27(32)30-18-8-7-9-19(16-18)35-2/h3-13,16-17,25-26,29H,14-15H2,1-2H3,(H,30,32)