4'-(4-bromophenyl)-5-chloranyl-spiro[1H-indole-3,2'-5H-1,5-benzothiazepine]-2-one

Systemtic Name: 4'-(4-bromophenyl)-5-chloranyl-spiro[1H-indole-3,2'-5H-1,5-benzothiazepine]-2-one Openeye Name: 4-(4-bromophenyl)-5'-chloro-spiro[5H-1,5-benzothiazepine-2,3'-indoline]-2'-one CAS Name: 4'-(4-bromophenyl)-5-chloro-2-spiro[1H-indole-3,2'-5H-1,5-benzothiazepine]one IUPAC Name: 4'-(4-bromophenyl)-5-chlorospiro[1H-indole-3,2'-5H-1,5-benzothiazepine]-2-one Traditional Name: 4-(4-bromophenyl)-5'-chloro-spiro[5H-1,5-benzothiazepine-2,3'-indoline]-2'-one Formula: C22H14BrClN2OS MolecularWeight: 469.78136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=CC3(S2)C4=C(C=CC(=C4)Cl)NC3=O)C5=CC=C(C=C5)Br

Isomeric SMILES

C1=CC=C2C(=C1)NC(=CC3(S2)C4=C(C=CC(=C4)Cl)NC3=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C22H14BrClN2OS/c23-14-7-5-13(6-8-14)19-12-22(28-20-4-2-1-3-18(20)25-19)16-11-15(24)9-10-17(16)26-21(22)27/h1-12,25H,(H,26,27)