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

Systemtic Name: phenethyl 4-oxidanylidene-4-[[[4-oxidanylidene-4-[(phenylmethyl)amino]butanoyl]amino]carbamothioylamino]butanoate Openeye Name: phenethyl 4-[[[4-(benzylamino)-4-oxo-butanoyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[1,4-dioxo-4-[(phenylmethyl)amino]butyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[4-(benzylamino)-4-keto-butanoyl]amino]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C24H28N4O5S MolecularWeight: 484.56792

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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)NCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NNC(=O)CCC(=O)NCC2=CC=CC=C2

InChI

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