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

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[[(4-oxidanylidene-4-phenylazanyl-butanoyl)amino]carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 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 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[(4-anilino-4-oxobutanoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(4-anilino-4-keto-butanoyl)amino]thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C24H28N4O5S MolecularWeight: 484.56792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O5S/c29-20(25-19-11-5-2-6-12-19)13-14-22(31)27-28-24(34)26-21(30)15-16-23(32)33-17-7-10-18-8-3-1-4-9-18/h1-6,8-9,11-12H,7,10,13-17H2,(H,25,29)(H,27,31)(H2,26,28,30,34)