N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-9H-xanthene-9-carboxamide

Systemtic Name: N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-9H-xanthene-9-carboxamide Openeye Name: N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-9H-xanthene-9-carboxamide CAS Name: N-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-9H-xanthene-9-carboxamide IUPAC Name: N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-9H-xanthene-9-carboxamide Traditional Name: N-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-9H-xanthene-9-carboxamide Formula: C28H22N2O3S MolecularWeight: 466.55088

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)C(=O)C6=CC=CS6

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)C(=O)C6=CC=CS6

InChI

InChI=1S/C28H22N2O3S/c31-27(26-21-6-1-3-8-23(21)33-24-9-4-2-7-22(24)26)29-20-12-11-18-13-14-30(17-19(18)16-20)28(32)25-10-5-15-34-25/h1-12,15-16,26H,13-14,17H2,(H,29,31)