methyl 2-[4-[(3-methylpiperidin-1-yl)carbothioylamino]phenyl]ethanoate

Systemtic Name: methyl 2-[4-[(3-methylpiperidin-1-yl)carbothioylamino]phenyl]ethanoate Openeye Name: methyl 2-[4-[(3-methylpiperidine-1-carbothioyl)amino]phenyl]acetate CAS Name: 2-[4-[[(3-methyl-1-piperidinyl)-sulfanylidenemethyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(3-methylpiperidine-1-carbothioyl)amino]phenyl]acetate Traditional Name: 2-[4-[(3-methylpiperidine-1-carbothioyl)amino]phenyl]acetic acid methyl ester Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=S)NC2=CC=C(C=C2)CC(=O)OC

Isomeric SMILES

CC1CCCN(C1)C(=S)NC2=CC=C(C=C2)CC(=O)OC

InChI

InChI=1S/C16H22N2O2S/c1-12-4-3-9-18(11-12)16(21)17-14-7-5-13(6-8-14)10-15(19)20-2/h5-8,12H,3-4,9-11H2,1-2H3,(H,17,21)