[4-(4-methylpiperidin-1-yl)carbothioylphenyl] 4-methylbenzoate

Systemtic Name: [4-(4-methylpiperidin-1-yl)carbothioylphenyl] 4-methylbenzoate Openeye Name: [4-(4-methylpiperidine-1-carbothioyl)phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]phenyl] ester IUPAC Name: [4-(4-methylpiperidine-1-carbothioyl)phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-(4-methylpiperidine-1-carbothioyl)phenyl] ester Formula: C21H23NO2S MolecularWeight: 353.47782

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=S)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1CCN(CC1)C(=S)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H23NO2S/c1-15-3-5-18(6-4-15)21(23)24-19-9-7-17(8-10-19)20(25)22-13-11-16(2)12-14-22/h3-10,16H,11-14H2,1-2H3