N-[3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene]benzamide

Systemtic Name: N-[3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene]benzamide Openeye Name: N-[3-[2-(4-bromophenyl)-2-oxo-ethyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene]benzamide CAS Name: N-[3-[2-(4-bromophenyl)-2-oxoethyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene]benzamide IUPAC Name: N-[3-[2-(4-bromophenyl)-2-oxoethyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene]benzamide Traditional Name: N-[3-[2-(4-bromophenyl)-2-keto-ethyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene]benzamide Formula: C22H21BrN2O2S MolecularWeight: 457.38334

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)N(C(=NC(=O)C3=CC=CC=C3)S2)CC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCC2C(C1)N(C(=NC(=O)C3=CC=CC=C3)S2)CC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H21BrN2O2S/c23-17-12-10-15(11-13-17)19(26)14-25-18-8-4-5-9-20(18)28-22(25)24-21(27)16-6-2-1-3-7-16/h1-3,6-7,10-13,18,20H,4-5,8-9,14H2