2-[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-(4-cyanophenyl)carbonyl-amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-(4-cyanophenyl)carbonyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(4-cyanobenzoyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-[(4-cyanophenyl)-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(4-cyanobenzoyl)amino]ethyl-diethylazanium Traditional Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(4-cyanobenzoyl)amino]ethyl-diethyl-ammonium Formula: C22H24ClN4O2S+ MolecularWeight: 443.96956

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(C=CC(=C2S1)Cl)OC)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(C=CC(=C2S1)Cl)OC)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H23ClN4O2S/c1-4-26(5-2)12-13-27(21(28)16-8-6-15(14-24)7-9-16)22-25-19-18(29-3)11-10-17(23)20(19)30-22/h6-11H,4-5,12-13H2,1-3H3/p+1