methyl 4-[(4-cyclohexylcarbonylpiperazin-1-yl)carbothioylamino]benzoate

Systemtic Name: methyl 4-[(4-cyclohexylcarbonylpiperazin-1-yl)carbothioylamino]benzoate Openeye Name: methyl 4-[[4-(cyclohexanecarbonyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-[cyclohexyl(oxo)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(cyclohexanecarbonyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(cyclohexanecarbonyl)piperazine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3CCCCC3

InChI

InChI=1S/C20H27N3O3S/c1-26-19(25)16-7-9-17(10-8-16)21-20(27)23-13-11-22(12-14-23)18(24)15-5-3-2-4-6-15/h7-10,15H,2-6,11-14H2,1H3,(H,21,27)