3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)benzenecarbothioamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)benzenecarbothioamide Openeye Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenecarbothioamide CAS Name: 3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]benzenecarbothioamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenecarbothioamide Traditional Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)thiobenzamide Formula: C17H16N2OS MolecularWeight: 296.38674

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=CC=C3)C(=S)N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=CC=C3)C(=S)N

InChI

InChI=1S/C17H16N2OS/c18-16(21)13-6-3-7-14(10-13)17(20)19-9-8-12-4-1-2-5-15(12)11-19/h1-7,10H,8-9,11H2,(H2,18,21)