N-[3-[7-[3-(dimethylamino)propoxy]-1-oxidanylidene-isoquinolin-2-yl]-4-methyl-phenyl]-3-thiophen-2-yl-benzamide

Systemtic Name: N-[3-[7-[3-(dimethylamino)propoxy]-1-oxidanylidene-isoquinolin-2-yl]-4-methyl-phenyl]-3-thiophen-2-yl-benzamide Openeye Name: N-[3-[7-[3-(dimethylamino)propoxy]-1-oxo-2-isoquinolyl]-4-methyl-phenyl]-3-(2-thienyl)benzamide CAS Name: N-[3-[7-[3-(dimethylamino)propoxy]-1-oxo-2-isoquinolinyl]-4-methylphenyl]-3-thiophen-2-ylbenzamide IUPAC Name: N-[3-[7-[3-(dimethylamino)propoxy]-1-oxoisoquinolin-2-yl]-4-methylphenyl]-3-thiophen-2-ylbenzamide Traditional Name: N-[3-[7-[3-(dimethylamino)propoxy]-1-keto-2-isoquinolyl]-4-methyl-phenyl]-3-(2-thienyl)benzamide Formula: C32H31N3O3S MolecularWeight: 537.67184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC(=C2)C3=CC=CS3)N4C=CC5=C(C4=O)C=C(C=C5)OCCCN(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC(=C2)C3=CC=CS3)N4C=CC5=C(C4=O)C=C(C=C5)OCCCN(C)C

InChI

InChI=1S/C32H31N3O3S/c1-22-10-12-26(33-31(36)25-8-4-7-24(19-25)30-9-5-18-39-30)20-29(22)35-16-14-23-11-13-27(21-28(23)32(35)37)38-17-6-15-34(2)3/h4-5,7-14,16,18-21H,6,15,17H2,1-3H3,(H,33,36)