methyl 4-[(4-methylpiperazin-1-yl)carbamothioylamino]benzoate

Systemtic Name: methyl 4-[(4-methylpiperazin-1-yl)carbamothioylamino]benzoate Openeye Name: methyl 4-[(4-methylpiperazin-1-yl)carbamothioylamino]benzoate CAS Name: 4-[[[(4-methyl-1-piperazinyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-methylpiperazin-1-yl)carbamothioylamino]benzoate Traditional Name: 4-[(4-methylpiperazino)thiocarbamoylamino]benzoic acid methyl ester Formula: C14H20N4O2S MolecularWeight: 308.3992

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC(=S)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)NC(=S)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C14H20N4O2S/c1-17-7-9-18(10-8-17)16-14(21)15-12-5-3-11(4-6-12)13(19)20-2/h3-6H,7-10H2,1-2H3,(H2,15,16,21)