methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxidanylidene-2-[(4-propan-2-yloxycarbonylphenyl)amino]ethyl]azanium

Systemtic Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxidanylidene-2-[(4-propan-2-yloxycarbonylphenyl)amino]ethyl]azanium Openeye Name: [2-(4-isopropoxycarbonylanilino)-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: methyl-[[4-(methylthio)phenyl]methyl]-[2-oxo-2-[4-[oxo(propan-2-yloxy)methyl]anilino]ethyl]ammonium IUPAC Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium Traditional Name: [2-(4-isopropoxycarbonylanilino)-2-keto-ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)SC

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C21H26N2O3S/c1-15(2)26-21(25)17-7-9-18(10-8-17)22-20(24)14-23(3)13-16-5-11-19(27-4)12-6-16/h5-12,15H,13-14H2,1-4H3,(H,22,24)/p+1