3-phenylpropyl 5-[[(4-chlorophenyl)carbonylamino]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[(4-chlorophenyl)carbonylamino]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[(4-chlorobenzoyl)amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[(4-chlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[(4-chlorobenzoyl)amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[(4-chlorobenzoyl)amino]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C22H24ClN3O4S MolecularWeight: 461.96166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O4S/c23-18-13-11-17(12-14-18)21(29)25-26-22(31)24-19(27)9-4-10-20(28)30-15-5-8-16-6-2-1-3-7-16/h1-3,6-7,11-14H,4-5,8-10,15H2,(H,25,29)(H2,24,26,27,31)