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

Systemtic Name: phenethyl 4-oxidanylidene-4-[(4-phenoxyphenyl)carbamothioylamino]butanoate Openeye Name: phenethyl 4-oxo-4-[(4-phenoxyphenyl)carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[(4-phenoxyanilino)-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[(4-phenoxyphenyl)carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(4-phenoxyphenyl)thiocarbamoylamino]butyric acid phenethyl ester Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C25H24N2O4S/c28-23(15-16-24(29)30-18-17-19-7-3-1-4-8-19)27-25(32)26-20-11-13-22(14-12-20)31-21-9-5-2-6-10-21/h1-14H,15-18H2,(H2,26,27,28,32)