methyl 3-[[4-(2-methylsulfanylphenyl)piperazin-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[4-(2-methylsulfanylphenyl)piperazin-1-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[4-(2-methylsulfanylphenyl)piperazine-1-carbonyl]amino]benzoate CAS Name: 3-[[[4-[2-(methylthio)phenyl]-1-piperazinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(2-methylsulfanylphenyl)piperazine-1-carbonyl]amino]benzoate Traditional Name: 3-[[4-[2-(methylthio)phenyl]piperazine-1-carbonyl]amino]benzoic acid methyl ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3=CC=CC=C3SC

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3=CC=CC=C3SC

InChI

InChI=1S/C20H23N3O3S/c1-26-19(24)15-6-5-7-16(14-15)21-20(25)23-12-10-22(11-13-23)17-8-3-4-9-18(17)27-2/h3-9,14H,10-13H2,1-2H3,(H,21,25)