3-phenylpropyl 4-[[[4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[[[4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[[4-(2-chloroanilino)-4-oxo-butanoyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[4-(2-chloroanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[[4-(2-chloroanilino)-4-oxobutanoyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[4-(2-chloroanilino)-4-keto-butanoyl]amino]thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C24H27ClN4O5S MolecularWeight: 519.01298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NNC(=O)CCC(=O)NC2=CC=CC=C2Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NNC(=O)CCC(=O)NC2=CC=CC=C2Cl

InChI

InChI=1S/C24H27ClN4O5S/c25-18-10-4-5-11-19(18)26-20(30)12-13-22(32)28-29-24(35)27-21(31)14-15-23(33)34-16-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11H,6,9,12-16H2,(H,26,30)(H,28,32)(H2,27,29,31,35)