N-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)carbothioyl]benzamide

Systemtic Name: N-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)carbothioyl]benzamide Openeye Name: N-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioyl)benzamide CAS Name: N-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-sulfanylidenemethyl]benzamide IUPAC Name: N-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioyl)benzamide Traditional Name: N-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbothioyl)benzamide Formula: C25H24N2O3S MolecularWeight: 432.53466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=S)NC(=O)C3=CC=CC=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=S)NC(=O)C3=CC=CC=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H24N2O3S/c1-29-21-15-19-13-14-27(25(31)26-24(28)18-11-7-4-8-12-18)23(17-9-5-3-6-10-17)20(19)16-22(21)30-2/h3-12,15-16,23H,13-14H2,1-2H3,(H,26,28,31)