propyl 4-[[[4-(2-methylpropanoylamino)phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[[[4-(2-methylpropanoylamino)phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[[4-[(2-methyl-1-oxopropyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[4-(isobutyrylamino)benzoyl]amino]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C19H26N4O5S MolecularWeight: 422.49854

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O5S/c1-4-11-28-16(25)10-9-15(24)21-19(29)23-22-18(27)13-5-7-14(8-6-13)20-17(26)12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,20,26)(H,22,27)(H2,21,23,24,29)