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

Systemtic Name: methyl 4-[[2-[4-(methylcarbamothioyl)piperazin-1-yl]-2-oxidanylidene-ethanoyl]amino]benzoate Openeye Name: methyl 4-[[2-[4-(methylcarbamothioyl)piperazin-1-yl]-2-oxo-acetyl]amino]benzoate CAS Name: 4-[[2-[4-[methylamino(sulfanylidene)methyl]-1-piperazinyl]-1,2-dioxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(methylcarbamothioyl)piperazin-1-yl]-2-oxoacetyl]amino]benzoate Traditional Name: 4-[[2-keto-2-[4-(methylthiocarbamoyl)piperazino]acetyl]amino]benzoic acid methyl ester Formula: C16H20N4O4S MolecularWeight: 364.4194

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCN(CC1)C(=O)C(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CNC(=S)N1CCN(CC1)C(=O)C(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C16H20N4O4S/c1-17-16(25)20-9-7-19(8-10-20)14(22)13(21)18-12-5-3-11(4-6-12)15(23)24-2/h3-6H,7-10H2,1-2H3,(H,17,25)(H,18,21)