methyl 2-[4-[(4-aminocarbonylpiperidin-1-yl)carbothioylamino]phenyl]ethanoate

Systemtic Name: methyl 2-[4-[(4-aminocarbonylpiperidin-1-yl)carbothioylamino]phenyl]ethanoate Openeye Name: methyl 2-[4-[(4-carbamoylpiperidine-1-carbothioyl)amino]phenyl]acetate CAS Name: 2-[4-[[(4-carbamoyl-1-piperidinyl)-sulfanylidenemethyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(4-carbamoylpiperidine-1-carbothioyl)amino]phenyl]acetate Traditional Name: 2-[4-[(4-carbamoylpiperidine-1-carbothioyl)amino]phenyl]acetic acid methyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(=O)N

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(=O)N

InChI

InChI=1S/C16H21N3O3S/c1-22-14(20)10-11-2-4-13(5-3-11)18-16(23)19-8-6-12(7-9-19)15(17)21/h2-5,12H,6-10H2,1H3,(H2,17,21)(H,18,23)