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

Systemtic Name: propyl 4-[[[4-(3-methylbutoxy)phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[(4-isopentyloxybenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[[4-(3-methylbutoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(4-isoamoxybenzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O5S/c1-4-12-28-18(25)10-9-17(24)21-20(29)23-22-19(26)15-5-7-16(8-6-15)27-13-11-14(2)3/h5-8,14H,4,9-13H2,1-3H3,(H,22,26)(H2,21,23,24,29)