propyl 4-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[[4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[4-(isovalerylamino)benzoyl]amino]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C20H28N4O5S MolecularWeight: 436.52512

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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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O5S/c1-4-11-29-18(27)10-9-16(25)22-20(30)24-23-19(28)14-5-7-15(8-6-14)21-17(26)12-13(2)3/h5-8,13H,4,9-12H2,1-3H3,(H,21,26)(H,23,28)(H2,22,24,25,30)