ethyl 4-[[4-[butan-2-yl(methyl)amino]piperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-[butan-2-yl(methyl)amino]piperidin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-[methyl(sec-butyl)amino]piperidine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-[butan-2-yl(methyl)amino]-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[butan-2-yl(methyl)amino]piperidine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-[methyl(sec-butyl)amino]piperidine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C20H31N3O2S MolecularWeight: 377.54404

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C)C1CCN(CC1)C(=S)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCC(C)N(C)C1CCN(CC1)C(=S)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C20H31N3O2S/c1-5-15(3)22(4)18-11-13-23(14-12-18)20(26)21-17-9-7-16(8-10-17)19(24)25-6-2/h7-10,15,18H,5-6,11-14H2,1-4H3,(H,21,26)