methyl 4-[[2-[4-[(4-methylphenyl)carbamothioyl]piperazin-1-yl]-2-oxidanylidene-ethanoyl]amino]benzoate

Systemtic Name: methyl 4-[[2-[4-[(4-methylphenyl)carbamothioyl]piperazin-1-yl]-2-oxidanylidene-ethanoyl]amino]benzoate Openeye Name: methyl 4-[[2-oxo-2-[4-(p-tolylcarbamothioyl)piperazin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-[(4-methylanilino)-sulfanylidenemethyl]-1-piperazinyl]-1,2-dioxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-[(4-methylphenyl)carbamothioyl]piperazin-1-yl]-2-oxoacetyl]amino]benzoate Traditional Name: 4-[[2-keto-2-[4-(p-tolylthiocarbamoyl)piperazino]acetyl]amino]benzoic acid methyl ester Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H24N4O4S/c1-15-3-7-18(8-4-15)24-22(31)26-13-11-25(12-14-26)20(28)19(27)23-17-9-5-16(6-10-17)21(29)30-2/h3-10H,11-14H2,1-2H3,(H,23,27)(H,24,31)