2-[3-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[3-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoylamino]ethyl-di(propan-2-yl)azanium Openeye Name: diisopropyl-[2-[3-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylpropanoylamino]ethyl]ammonium CAS Name: 2-[[3-[[2-(4-methylanilino)-2-oxoethyl]thio]-1-oxopropyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[3-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanoylamino]ethyl-di(propan-2-yl)azanium Traditional Name: diisopropyl-[2-[3-[[2-keto-2-(p-toluidino)ethyl]thio]propanoylamino]ethyl]ammonium Formula: C20H34N3O2S+ MolecularWeight: 380.56786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSCCC(=O)NCC[NH+](C(C)C)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSCCC(=O)NCC[NH+](C(C)C)C(C)C

InChI

InChI=1S/C20H33N3O2S/c1-15(2)23(16(3)4)12-11-21-19(24)10-13-26-14-20(25)22-18-8-6-17(5)7-9-18/h6-9,15-16H,10-14H2,1-5H3,(H,21,24)(H,22,25)/p+1