2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-[4-(phenylcarbonyl)phenyl]carbonyl-amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-[4-(phenylcarbonyl)phenyl]carbonyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[(4-benzoylbenzoyl)-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[(4-benzoylphenyl)-oxomethyl]-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethylammonium IUPAC Name: 2-[(4-benzoylbenzoyl)-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium Traditional Name: 2-[(4-benzoylbenzoyl)-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium Formula: C29H32N3O4S+ MolecularWeight: 518.64708

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(C=CC(=C2S1)OC)OC)C(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(C=CC(=C2S1)OC)OC)C(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H31N3O4S/c1-5-31(6-2)18-19-32(29-30-25-23(35-3)16-17-24(36-4)27(25)37-29)28(34)22-14-12-21(13-15-22)26(33)20-10-8-7-9-11-20/h7-17H,5-6,18-19H2,1-4H3/p+1