phenethyl 4-oxidanylidene-4-[(3-phenethyloxyphenyl)carbamothioylamino]butanoate

Systemtic Name: phenethyl 4-oxidanylidene-4-[(3-phenethyloxyphenyl)carbamothioylamino]butanoate Openeye Name: phenethyl 4-oxo-4-[(3-phenethyloxyphenyl)carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[(3-phenethyloxyanilino)-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[(3-phenethyloxyphenyl)carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(3-phenethyloxyphenyl)thiocarbamoylamino]butyric acid phenethyl ester Formula: C27H28N2O4S MolecularWeight: 476.58722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=CC=CC(=C2)NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=CC=CC(=C2)NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C27H28N2O4S/c30-25(14-15-26(31)33-19-17-22-10-5-2-6-11-22)29-27(34)28-23-12-7-13-24(20-23)32-18-16-21-8-3-1-4-9-21/h1-13,20H,14-19H2,(H2,28,29,30,34)