ethyl 4-[[[4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[[4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[[4-(4-ethoxyanilino)-4-oxo-butanoyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[4-(4-ethoxyanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[[4-(4-ethoxyanilino)-4-oxobutanoyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[[4-keto-4-(p-phenetidino)butanoyl]amino]thiocarbamoylamino]butyric acid ethyl ester Formula: C19H26N4O6S MolecularWeight: 438.49794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)CCC(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)CCC(=O)OCC

InChI

InChI=1S/C19H26N4O6S/c1-3-28-14-7-5-13(6-8-14)20-15(24)9-10-17(26)22-23-19(30)21-16(25)11-12-18(27)29-4-2/h5-8H,3-4,9-12H2,1-2H3,(H,20,24)(H,22,26)(H2,21,23,25,30)