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

Systemtic Name: ethyl 4-[[4-[cyclopentyl(methyl)amino]piperidin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-[cyclopentyl(methyl)amino]piperidine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-[cyclopentyl(methyl)amino]-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[cyclopentyl(methyl)amino]piperidine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-[cyclopentyl(methyl)amino]piperidine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C21H31N3O2S MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)N(C)C3CCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)N(C)C3CCCC3

InChI

InChI=1S/C21H31N3O2S/c1-3-26-20(25)16-8-10-17(11-9-16)22-21(27)24-14-12-19(13-15-24)23(2)18-6-4-5-7-18/h8-11,18-19H,3-7,12-15H2,1-2H3,(H,22,27)