ethyl 4-[[3-methyl-4-(4-methylphenyl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[3-methyl-4-(4-methylphenyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[3-methyl-4-(p-tolyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[3-methyl-4-(4-methylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-methyl-4-(4-methylphenyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[3-methyl-4-(p-tolyl)piperazine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(C(C2)C)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(C(C2)C)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H27N3O2S/c1-4-27-21(26)18-7-9-19(10-8-18)23-22(28)24-13-14-25(17(3)15-24)20-11-5-16(2)6-12-20/h5-12,17H,4,13-15H2,1-3H3,(H,23,28)