3-phenylpropyl 4-[(4-iodophenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[(4-iodophenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[(4-iodophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-iodoanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[(4-iodophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-iodophenyl)thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C20H21IN2O3S MolecularWeight: 496.36181

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NC2=CC=C(C=C2)I

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NC2=CC=C(C=C2)I

InChI

InChI=1S/C20H21IN2O3S/c21-16-8-10-17(11-9-16)22-20(27)23-18(24)12-13-19(25)26-14-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-14H2,(H2,22,23,24,27)