4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylcarbonyl)benzenecarbothioamide

Systemtic Name: 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylcarbonyl)benzenecarbothioamide Openeye Name: 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)benzenecarbothioamide CAS Name: 4-[3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl(oxo)methyl]benzenecarbothioamide IUPAC Name: 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)benzenecarbothioamide Traditional Name: 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)thiobenzamide Formula: C17H22N2OS MolecularWeight: 302.43438

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2CN(CCC2C1)C(=O)C3=CC=C(C=C3)C(=S)N

Isomeric SMILES

C1CCC2CN(CCC2C1)C(=O)C3=CC=C(C=C3)C(=S)N

InChI

InChI=1S/C17H22N2OS/c18-16(21)13-5-7-14(8-6-13)17(20)19-10-9-12-3-1-2-4-15(12)11-19/h5-8,12,15H,1-4,9-11H2,(H2,18,21)