ethyl 3-[(4-cyclohexylcarbonylpiperazin-1-yl)carbothioylamino]benzoate

Systemtic Name: ethyl 3-[(4-cyclohexylcarbonylpiperazin-1-yl)carbothioylamino]benzoate Openeye Name: ethyl 3-[[4-(cyclohexanecarbonyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 3-[[[4-[cyclohexyl(oxo)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(cyclohexanecarbonyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 3-[[4-(cyclohexanecarbonyl)piperazine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3S/c1-2-27-20(26)17-9-6-10-18(15-17)22-21(28)24-13-11-23(12-14-24)19(25)16-7-4-3-5-8-16/h6,9-10,15-16H,2-5,7-8,11-14H2,1H3,(H,22,28)