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

Systemtic Name: phenethyl 4-[(3-ethoxyphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(3-ethoxyphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-ethoxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(3-ethoxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-(m-phenetylthiocarbamoylamino)butyric acid phenethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CCOC1=CC=CC(=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O4S/c1-2-26-18-10-6-9-17(15-18)22-21(28)23-19(24)11-12-20(25)27-14-13-16-7-4-3-5-8-16/h3-10,15H,2,11-14H2,1H3,(H2,22,23,24,28)