phenethyl 4-oxidanylidene-4-[(3-propan-2-yloxyphenyl)carbamothioylamino]butanoate

Systemtic Name: phenethyl 4-oxidanylidene-4-[(3-propan-2-yloxyphenyl)carbamothioylamino]butanoate Openeye Name: phenethyl 4-[(3-isopropoxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[(3-propan-2-yloxyanilino)-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[(3-propan-2-yloxyphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(3-isopropoxyphenyl)thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O4S/c1-16(2)28-19-10-6-9-18(15-19)23-22(29)24-20(25)11-12-21(26)27-14-13-17-7-4-3-5-8-17/h3-10,15-16H,11-14H2,1-2H3,(H2,23,24,25,29)