propan-2-yl 4-methylsulfanyl-2-[(2,4,5-trimethylphenyl)carbamothioylamino]butanoate

Systemtic Name: propan-2-yl 4-methylsulfanyl-2-[(2,4,5-trimethylphenyl)carbamothioylamino]butanoate Openeye Name: isopropyl 4-methylsulfanyl-2-[(2,4,5-trimethylphenyl)carbamothioylamino]butanoate CAS Name: 4-(methylthio)-2-[[sulfanylidene-(2,4,5-trimethylanilino)methyl]amino]butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-methylsulfanyl-2-[(2,4,5-trimethylphenyl)carbamothioylamino]butanoate Traditional Name: 4-(methylthio)-2-[(2,4,5-trimethylphenyl)thiocarbamoylamino]butyric acid isopropyl ester Formula: C18H28N2O2S2 MolecularWeight: 368.55712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)NC(=S)NC(CCSC)C(=O)OC(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C)NC(=S)NC(CCSC)C(=O)OC(C)C)C

InChI

InChI=1S/C18H28N2O2S2/c1-11(2)22-17(21)15(7-8-24-6)19-18(23)20-16-10-13(4)12(3)9-14(16)5/h9-11,15H,7-8H2,1-6H3,(H2,19,20,23)