phenethyl 4-[[(4-benzamidophenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[(4-benzamidophenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[(4-benzamidobenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(4-benzamidophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[(4-benzamidobenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(4-benzamidobenzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C27H26N4O5S MolecularWeight: 518.58414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H26N4O5S/c32-23(15-16-24(33)36-18-17-19-7-3-1-4-8-19)29-27(37)31-30-26(35)21-11-13-22(14-12-21)28-25(34)20-9-5-2-6-10-20/h1-14H,15-18H2,(H,28,34)(H,30,35)(H2,29,31,32,37)