methyl 4-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-[(4-methyl-1-piperazinyl)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[2-(4-methylpiperazine-1-carbonyl)phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)CCC(=O)OC

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)CCC(=O)OC

InChI

InChI=1S/C18H24N4O4S/c1-21-9-11-22(12-10-21)17(25)13-5-3-4-6-14(13)19-18(27)20-15(23)7-8-16(24)26-2/h3-6H,7-12H2,1-2H3,(H2,19,20,23,27)