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

Systemtic Name: 2-methoxyethyl 4-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[4-(4-methylpiperazino)sulfonylphenyl]thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C19H28N4O6S2 MolecularWeight: 472.57882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O6S2/c1-22-9-11-23(12-10-22)31(26,27)16-5-3-15(4-6-16)20-19(30)21-17(24)7-8-18(25)29-14-13-28-2/h3-6H,7-14H2,1-2H3,(H2,20,21,24,30)