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

Systemtic Name: [2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [2-(4-carbamoylanilino)-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [2-(4-carbamoylanilino)-2-oxoethyl]-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [2-(4-carbamoylanilino)-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-(4-carbamoylanilino)-2-keto-ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C18H22N3O2S+ MolecularWeight: 344.45118

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NC2=CC=C(C=C2)C(=O)N

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NC2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C18H21N3O2S/c1-21(11-13-3-9-16(24-2)10-4-13)12-17(22)20-15-7-5-14(6-8-15)18(19)23/h3-10H,11-12H2,1-2H3,(H2,19,23)(H,20,22)/p+1