phenethyl 4-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[(2-ethyl-6-methylphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(2-ethyl-6-methyl-phenyl)thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2)C

InChI

InChI=1S/C22H26N2O3S/c1-3-18-11-7-8-16(2)21(18)24-22(28)23-19(25)12-13-20(26)27-15-14-17-9-5-4-6-10-17/h4-11H,3,12-15H2,1-2H3,(H2,23,24,25,28)