[4-(4-methylpiperidin-1-yl)carbothioylphenyl] 3-chloranylbenzoate

Systemtic Name: [4-(4-methylpiperidin-1-yl)carbothioylphenyl] 3-chloranylbenzoate Openeye Name: [4-(4-methylpiperidine-1-carbothioyl)phenyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [4-[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]phenyl] ester IUPAC Name: [4-(4-methylpiperidine-1-carbothioyl)phenyl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [4-(4-methylpiperidine-1-carbothioyl)phenyl] ester Formula: C20H20ClNO2S MolecularWeight: 373.8963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClNO2S/c1-14-9-11-22(12-10-14)19(25)15-5-7-18(8-6-15)24-20(23)16-3-2-4-17(21)13-16/h2-8,13-14H,9-12H2,1H3