dimethyl-[2-[(3-methylphenyl)carbonyl-(6-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl]azanium

Systemtic Name: dimethyl-[2-[(3-methylphenyl)carbonyl-(6-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl]azanium Openeye Name: dimethyl-[2-[(3-methylbenzoyl)-(6-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl]ammonium CAS Name: dimethyl-[2-[[(3-methylphenyl)-oxomethyl]-[6-(methylthio)-1,3-benzothiazol-2-yl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(3-methylbenzoyl)-(6-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl]azanium Traditional Name: dimethyl-[2-[[6-(methylthio)-1,3-benzothiazol-2-yl]-m-toluoyl-amino]ethyl]ammonium Formula: C20H24N3OS2+ MolecularWeight: 386.55406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N(CC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)SC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N(CC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)SC

InChI

InChI=1S/C20H23N3OS2/c1-14-6-5-7-15(12-14)19(24)23(11-10-22(2)3)20-21-17-9-8-16(25-4)13-18(17)26-20/h5-9,12-13H,10-11H2,1-4H3/p+1