ethyl 4-[[4-[cyclohexyl(methyl)amino]piperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-[cyclohexyl(methyl)amino]piperidin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-[cyclohexyl(methyl)amino]piperidine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-[cyclohexyl(methyl)amino]-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[cyclohexyl(methyl)amino]piperidine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-[cyclohexyl(methyl)amino]piperidine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C22H33N3O2S MolecularWeight: 403.58132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)N(C)C3CCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)N(C)C3CCCCC3

InChI

InChI=1S/C22H33N3O2S/c1-3-27-21(26)17-9-11-18(12-10-17)23-22(28)25-15-13-20(14-16-25)24(2)19-7-5-4-6-8-19/h9-12,19-20H,3-8,13-16H2,1-2H3,(H,23,28)