ethyl 4-[[(2-chlorophenyl)methyl-(1-methylpiperidin-4-yl)carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[(2-chlorophenyl)methyl-(1-methylpiperidin-4-yl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[(2-chlorophenyl)methyl-(1-methyl-4-piperidyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[(2-chlorophenyl)methyl-(1-methyl-4-piperidinyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2-chlorophenyl)methyl-(1-methylpiperidin-4-yl)carbamothioyl]amino]benzoate Traditional Name: 4-[[(2-chlorobenzyl)-(1-methyl-4-piperidyl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C23H28ClN3O2S MolecularWeight: 446.00532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CC2=CC=CC=C2Cl)C3CCN(CC3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CC2=CC=CC=C2Cl)C3CCN(CC3)C

InChI

InChI=1S/C23H28ClN3O2S/c1-3-29-22(28)17-8-10-19(11-9-17)25-23(30)27(20-12-14-26(2)15-13-20)16-18-6-4-5-7-21(18)24/h4-11,20H,3,12-16H2,1-2H3,(H,25,30)