2-(2-azanylidene-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-phenylphenyl)ethanone bromide

Systemtic Name: 2-(2-azanylidene-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-phenylphenyl)ethanone bromide Openeye Name: 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-phenylphenyl)ethanone bromide CAS Name: 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-phenylphenyl)ethanone bromide IUPAC Name: 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-phenylphenyl)ethanone bromide Traditional Name: 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-phenylphenyl)ethanone bromide Formula: C21H20BrN2OS- MolecularWeight: 428.3653

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N(C(=N)S2)CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1CCC2=C(C1)N(C(=N)S2)CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C21H20N2OS.BrH/c22-21-23(18-8-4-5-9-20(18)25-21)14-19(24)17-12-10-16(11-13-17)15-6-2-1-3-7-15;/h1-3,6-7,10-13,22H,4-5,8-9,14H2;1H/p-1