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

Systemtic Name: propyl 4-[[[4-[(3-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[[4-[[(3-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[[4-(m-toluoylamino)benzoyl]amino]thiocarbamoylamino]butyric acid propyl ester Formula: C23H26N4O5S MolecularWeight: 470.54134

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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)C2=CC(=CC=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O5S/c1-3-13-32-20(29)12-11-19(28)25-23(33)27-26-22(31)16-7-9-18(10-8-16)24-21(30)17-6-4-5-15(2)14-17/h4-10,14H,3,11-13H2,1-2H3,(H,24,30)(H,26,31)(H2,25,27,28,33)