phenethyl 4-oxidanylidene-4-[(2,4,6-trimethylphenyl)carbamothioylamino]butanoate

Systemtic Name: phenethyl 4-oxidanylidene-4-[(2,4,6-trimethylphenyl)carbamothioylamino]butanoate Openeye Name: phenethyl 4-oxo-4-[(2,4,6-trimethylphenyl)carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[sulfanylidene-(2,4,6-trimethylanilino)methyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[(2,4,6-trimethylphenyl)carbamothioylamino]butanoate Traditional Name: 4-keto-4-(mesitylthiocarbamoylamino)butyric acid phenethyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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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)C

Isomeric SMILES

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

InChI

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