N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-bromanyl-benzamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-bromanyl-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-bromo-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-bromobenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-bromobenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-bromo-benzamide Formula: C22H17BrN2OS2 MolecularWeight: 469.41718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=CC=C3)Br)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=CC=C3)Br)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H17BrN2OS2/c23-14-7-5-6-13(12-14)20(26)25-22-19(15-8-1-3-10-17(15)27-22)21-24-16-9-2-4-11-18(16)28-21/h2,4-7,9,11-12H,1,3,8,10H2,(H,25,26)