2-[(2,5-dimethylphenyl)carbonyl-(4-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(2,5-dimethylphenyl)carbonyl-(4-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(2,5-dimethylbenzoyl)-(4-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[(2,5-dimethylphenyl)-oxomethyl]-[4-(methylthio)-1,3-benzothiazol-2-yl]amino]ethyl-diethylammonium IUPAC Name: 2-[(2,5-dimethylbenzoyl)-(4-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium Traditional Name: 2-[(2,5-dimethylbenzoyl)-[4-(methylthio)-1,3-benzothiazol-2-yl]amino]ethyl-diethyl-ammonium Formula: C23H30N3OS2+ MolecularWeight: 428.6338

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(S1)C=CC=C2SC)C(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=CC=C2SC)C(=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C23H29N3OS2/c1-6-25(7-2)13-14-26(22(27)18-15-16(3)11-12-17(18)4)23-24-21-19(28-5)9-8-10-20(21)29-23/h8-12,15H,6-7,13-14H2,1-5H3/p+1