phenethyl 4-[(2,5-dimethylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[(2,5-dimethylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(2,5-dimethylphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(2,5-dimethylanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(2,5-dimethylphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(2,5-dimethylphenyl)thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O3S/c1-15-8-9-16(2)18(14-15)22-21(27)23-19(24)10-11-20(25)26-13-12-17-6-4-3-5-7-17/h3-9,14H,10-13H2,1-2H3,(H2,22,23,24,27)