3-phenylsulfanyl-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide

Systemtic Name: 3-phenylsulfanyl-N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide Openeye Name: 3-phenylsulfanyl-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide CAS Name: N-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(phenylthio)propanamide IUPAC Name: 3-phenylsulfanyl-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide Traditional Name: 3-(phenylthio)-N-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]propionamide Formula: C23H22N2O2S2 MolecularWeight: 422.56298

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)CCSC3=CC=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)CCSC3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C23H22N2O2S2/c26-22(11-14-28-20-5-2-1-3-6-20)24-19-9-8-17-10-12-25(16-18(17)15-19)23(27)21-7-4-13-29-21/h1-9,13,15H,10-12,14,16H2,(H,24,26)