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

Systemtic Name: phenethyl 4-[(4-butan-2-yloxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-oxo-4-[(4-sec-butoxyphenyl)carbamothioylamino]butanoate CAS Name: 4-[[(4-butan-2-yloxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(4-butan-2-yloxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(4-sec-butoxyphenyl)thiocarbamoylamino]butyric acid phenethyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4S/c1-3-17(2)29-20-11-9-19(10-12-20)24-23(30)25-21(26)13-14-22(27)28-16-15-18-7-5-4-6-8-18/h4-12,17H,3,13-16H2,1-2H3,(H2,24,25,26,30)