phenethyl 4-oxidanylidene-4-[(2-propan-2-ylphenyl)carbamothioylamino]butanoate

Systemtic Name: phenethyl 4-oxidanylidene-4-[(2-propan-2-ylphenyl)carbamothioylamino]butanoate Openeye Name: phenethyl 4-[(2-isopropylphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[(2-propan-2-ylanilino)-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[(2-propan-2-ylphenyl)carbamothioylamino]butanoate Traditional Name: 4-keto-4-(o-cumenylthiocarbamoylamino)butyric acid phenethyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O3S/c1-16(2)18-10-6-7-11-19(18)23-22(28)24-20(25)12-13-21(26)27-15-14-17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H2,23,24,25,28)