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

Systemtic Name: propyl 4-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 4-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[2-(4-methylpiperazine-1-carbonyl)phenyl]thiocarbamoylamino]butyric acid propyl ester Formula: C20H28N4O4S MolecularWeight: 420.52572

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)N2CCN(CC2)C

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)N2CCN(CC2)C

InChI

InChI=1S/C20H28N4O4S/c1-3-14-28-18(26)9-8-17(25)22-20(29)21-16-7-5-4-6-15(16)19(27)24-12-10-23(2)11-13-24/h4-7H,3,8-14H2,1-2H3,(H2,21,22,25,29)