methyl 4-[[2-cyanoethyl(cyclohexyl)carbamothioyl]amino]benzoate

Systemtic Name: methyl 4-[[2-cyanoethyl(cyclohexyl)carbamothioyl]amino]benzoate Openeye Name: methyl 4-[[2-cyanoethyl(cyclohexyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[2-cyanoethyl(cyclohexyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-cyanoethyl(cyclohexyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[2-cyanoethyl(cyclohexyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)N(CCC#N)C2CCCCC2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)N(CCC#N)C2CCCCC2

InChI

InChI=1S/C18H23N3O2S/c1-23-17(22)14-8-10-15(11-9-14)20-18(24)21(13-5-12-19)16-6-3-2-4-7-16/h8-11,16H,2-7,13H2,1H3,(H,20,24)