phenethyl 4-oxidanylidene-4-[[(4-oxidanylidene-4-phenylazanyl-butanoyl)amino]carbamothioylamino]butanoate

Systemtic Name: phenethyl 4-oxidanylidene-4-[[(4-oxidanylidene-4-phenylazanyl-butanoyl)amino]carbamothioylamino]butanoate Openeye Name: phenethyl 4-[[(4-anilino-4-oxo-butanoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[(4-anilino-1,4-dioxobutyl)hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[(4-anilino-4-oxobutanoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(4-anilino-4-keto-butanoyl)amino]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NNC(=O)CCC(=O)NC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NNC(=O)CCC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C23H26N4O5S/c28-19(24-18-9-5-2-6-10-18)11-12-21(30)26-27-23(33)25-20(29)13-14-22(31)32-16-15-17-7-3-1-4-8-17/h1-10H,11-16H2,(H,24,28)(H,26,30)(H2,25,27,29,33)