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

Systemtic Name: phenethyl 4-[(4-methoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(4-methoxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(4-methoxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(4-methoxyphenyl)thiocarbamoylamino]butyric acid phenethyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O4S/c1-25-17-9-7-16(8-10-17)21-20(27)22-18(23)11-12-19(24)26-14-13-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H2,21,22,23,27)