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

Systemtic Name: propyl 4-[[[4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C20H28N4O6S MolecularWeight: 452.52452

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NNC(=O)CCC(=O)NC1=CC=C(C=C1)OCC

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NNC(=O)CCC(=O)NC1=CC=C(C=C1)OCC

InChI

InChI=1S/C20H28N4O6S/c1-3-13-30-19(28)12-11-17(26)22-20(31)24-23-18(27)10-9-16(25)21-14-5-7-15(8-6-14)29-4-2/h5-8H,3-4,9-13H2,1-2H3,(H,21,25)(H,23,27)(H2,22,24,26,31)