4-bromanyl-N-(3-phenacyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-bromanyl-N-(3-phenacyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-bromo-N-(3-phenacyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-bromo-N-(3-phenacyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-bromo-N-(3-phenacyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-bromo-N-(3-phenacyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylidene)benzamide Formula: C22H19BrN2O2S MolecularWeight: 455.36746

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N(C(=NC(=O)C3=CC=C(C=C3)Br)S2)CC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)N(C(=NC(=O)C3=CC=C(C=C3)Br)S2)CC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H19BrN2O2S/c23-17-12-10-16(11-13-17)21(27)24-22-25(18-8-4-5-9-20(18)28-22)14-19(26)15-6-2-1-3-7-15/h1-3,6-7,10-13H,4-5,8-9,14H2