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

Systemtic Name: methyl 2-[[4-(phenylmethyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 2-[(4-benzylpiperazine-1-carbothioyl)amino]benzoate CAS Name: 2-[[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-benzylpiperazine-1-carbothioyl)amino]benzoate Traditional Name: 2-[(4-benzylpiperazine-1-carbothioyl)amino]benzoic acid methyl ester Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O2S/c1-25-19(24)17-9-5-6-10-18(17)21-20(26)23-13-11-22(12-14-23)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,21,26)