methyl 4-[(4-acetamidopiperidin-1-yl)carbothioylamino]benzoate

Systemtic Name: methyl 4-[(4-acetamidopiperidin-1-yl)carbothioylamino]benzoate Openeye Name: methyl 4-[(4-acetamidopiperidine-1-carbothioyl)amino]benzoate CAS Name: 4-[[(4-acetamido-1-piperidinyl)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-acetamidopiperidine-1-carbothioyl)amino]benzoate Traditional Name: 4-[(4-acetamidopiperidine-1-carbothioyl)amino]benzoic acid methyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCN(CC1)C(=S)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(=O)NC1CCN(CC1)C(=S)NC2=CC=C(C=C2)C(=O)OC

InChI

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