methyl 4-[[4-(2-cyanophenyl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 4-[[4-(2-cyanophenyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 4-[[4-(2-cyanophenyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(2-cyanophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-cyanophenyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(2-cyanophenyl)piperazine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=C3C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H20N4O2S/c1-26-19(25)15-6-8-17(9-7-15)22-20(27)24-12-10-23(11-13-24)18-5-3-2-4-16(18)14-21/h2-9H,10-13H2,1H3,(H,22,27)