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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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