ethyl 4-[(4-aminocarbonylpiperidin-1-yl)carbothioylamino]benzoate

Systemtic Name: ethyl 4-[(4-aminocarbonylpiperidin-1-yl)carbothioylamino]benzoate Openeye Name: ethyl 4-[(4-carbamoylpiperidine-1-carbothioyl)amino]benzoate CAS Name: 4-[[(4-carbamoyl-1-piperidinyl)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-carbamoylpiperidine-1-carbothioyl)amino]benzoate Traditional Name: 4-[(4-carbamoylpiperidine-1-carbothioyl)amino]benzoic acid ethyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3S/c1-2-22-15(21)12-3-5-13(6-4-12)18-16(23)19-9-7-11(8-10-19)14(17)20/h3-6,11H,2,7-10H2,1H3,(H2,17,20)(H,18,23)