4'-(4-bromophenyl)-5,7'-bis(chloranyl)spiro[1H-indole-3,2'-5H-1,5-benzothiazepine]-2-one

Systemtic Name: 4'-(4-bromophenyl)-5,7'-bis(chloranyl)spiro[1H-indole-3,2'-5H-1,5-benzothiazepine]-2-one Openeye Name: 4-(4-bromophenyl)-5',7-dichloro-spiro[5H-1,5-benzothiazepine-2,3'-indoline]-2'-one CAS Name: 4'-(4-bromophenyl)-5,7'-dichloro-2-spiro[1H-indole-3,2'-5H-1,5-benzothiazepine]one IUPAC Name: 4'-(4-bromophenyl)-5,7'-dichlorospiro[1H-indole-3,2'-5H-1,5-benzothiazepine]-2-one Traditional Name: 4-(4-bromophenyl)-5',7-dichloro-spiro[5H-1,5-benzothiazepine-2,3'-indoline]-2'-one Formula: C22H13BrCl2N2OS MolecularWeight: 504.22642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC3(C4=C(C=CC(=C4)Cl)NC3=O)SC5=C(N2)C=C(C=C5)Cl)Br

Isomeric SMILES

C1=CC(=CC=C1C2=CC3(C4=C(C=CC(=C4)Cl)NC3=O)SC5=C(N2)C=C(C=C5)Cl)Br

InChI

InChI=1S/C22H13BrCl2N2OS/c23-13-3-1-12(2-4-13)19-11-22(29-20-8-6-15(25)10-18(20)26-19)16-9-14(24)5-7-17(16)27-21(22)28/h1-11,26H,(H,27,28)