phenethyl 4-[(3-methoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[(3-methoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(3-methoxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-methoxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(3-methoxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(3-methoxyphenyl)thiocarbamoylamino]butyric acid phenethyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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