ethyl (E)-4-oxidanylidene-4-[[(4-oxidanylidene-4-phenylazanyl-butanoyl)amino]carbamothioylamino]but-2-enoate

Systemtic Name: ethyl (E)-4-oxidanylidene-4-[[(4-oxidanylidene-4-phenylazanyl-butanoyl)amino]carbamothioylamino]but-2-enoate Openeye Name: ethyl (E)-4-[[(4-anilino-4-oxo-butanoyl)amino]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[(4-anilino-1,4-dioxobutyl)hydrazo]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[(4-anilino-4-oxobutanoyl)amino]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[(4-anilino-4-keto-butanoyl)amino]thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NNC(=O)CCC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C17H20N4O5S/c1-2-26-16(25)11-10-14(23)19-17(27)21-20-15(24)9-8-13(22)18-12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3,(H,18,22)(H,20,24)(H2,19,21,23,27)/b11-10+