3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(methylthio)phenyl]-2-thiophenecarboxamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(methylthio)phenyl]thiophene-2-carboxamide Formula: C21H20N2O3S3 MolecularWeight: 444.5901

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H20N2O3S3/c1-27-18-8-4-7-17(13-18)22-21(24)20-19(10-12-28-20)29(25,26)23-11-9-15-5-2-3-6-16(15)14-23/h2-8,10,12-13H,9,11,14H2,1H3,(H,22,24)