propyl 4-[[(4-acetamidophenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[[(4-acetamidophenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[(4-acetamidobenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(4-acetamidophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[(4-acetamidobenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(4-acetamidobenzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C17H22N4O5S MolecularWeight: 394.44538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O5S/c1-3-10-26-15(24)9-8-14(23)19-17(27)21-20-16(25)12-4-6-13(7-5-12)18-11(2)22/h4-7H,3,8-10H2,1-2H3,(H,18,22)(H,20,25)(H2,19,21,23,27)