methyl 2-[[cyclopentyl(prop-2-enyl)carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[cyclopentyl(prop-2-enyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[allyl(cyclopentyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[cyclopentyl(prop-2-enyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[cyclopentyl(prop-2-enyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[allyl(cyclopentyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N(CC=C)C2CCCC2

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N(CC=C)C2CCCC2

InChI

InChI=1S/C17H22N2O2S/c1-3-12-19(13-8-4-5-9-13)17(22)18-15-11-7-6-10-14(15)16(20)21-2/h3,6-7,10-11,13H,1,4-5,8-9,12H2,2H3,(H,18,22)