methyl 4-(4-methylpiperazin-1-yl)-3-(propanoylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(4-methylpiperazin-1-yl)-3-(propanoylcarbamothioylamino)benzoate Openeye Name: methyl 4-(4-methylpiperazin-1-yl)-3-(propanoylcarbamothioylamino)benzoate CAS Name: 4-(4-methyl-1-piperazinyl)-3-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylpiperazin-1-yl)-3-(propanoylcarbamothioylamino)benzoate Traditional Name: 4-(4-methylpiperazino)-3-(propionylthiocarbamoylamino)benzoic acid methyl ester Formula: C17H24N4O3S MolecularWeight: 364.46246

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)OC)N2CCN(CC2)C

Isomeric SMILES

CCC(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)OC)N2CCN(CC2)C

InChI

InChI=1S/C17H24N4O3S/c1-4-15(22)19-17(25)18-13-11-12(16(23)24-3)5-6-14(13)21-9-7-20(2)8-10-21/h5-6,11H,4,7-10H2,1-3H3,(H2,18,19,22,25)