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

Systemtic Name: methyl 4-[[2-[4-[(2-methoxyphenyl)carbamothioyl]piperazin-1-yl]-2-oxidanylidene-ethanoyl]amino]benzoate Openeye Name: methyl 4-[[2-[4-[(2-methoxyphenyl)carbamothioyl]piperazin-1-yl]-2-oxo-acetyl]amino]benzoate CAS Name: 4-[[2-[4-[(2-methoxyanilino)-sulfanylidenemethyl]-1-piperazinyl]-1,2-dioxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-[(2-methoxyphenyl)carbamothioyl]piperazin-1-yl]-2-oxoacetyl]amino]benzoate Traditional Name: 4-[[2-keto-2-[4-[(2-methoxyphenyl)thiocarbamoyl]piperazino]acetyl]amino]benzoic acid methyl ester Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)N2CCN(CC2)C(=O)C(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1NC(=S)N2CCN(CC2)C(=O)C(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H24N4O5S/c1-30-18-6-4-3-5-17(18)24-22(32)26-13-11-25(12-14-26)20(28)19(27)23-16-9-7-15(8-10-16)21(29)31-2/h3-10H,11-14H2,1-2H3,(H,23,27)(H,24,32)