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

Systemtic Name: propyl 4-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[(4-methyl-1-piperazinyl)sulfonyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[4-(4-methylpiperazino)sulfonylphenyl]thiocarbamoylamino]butyric acid propyl ester Formula: C19H28N4O5S2 MolecularWeight: 456.57942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O5S2/c1-3-14-28-18(25)9-8-17(24)21-19(29)20-15-4-6-16(7-5-15)30(26,27)23-12-10-22(2)11-13-23/h4-7H,3,8-14H2,1-2H3,(H2,20,21,24,29)