4-(4-bromophenyl)-2-(2-phenyl-1H-indol-3-yl)-2,5-dihydro-1,5-benzothiazepine

Systemtic Name: 4-(4-bromophenyl)-2-(2-phenyl-1H-indol-3-yl)-2,5-dihydro-1,5-benzothiazepine Openeye Name: 4-(4-bromophenyl)-2-(2-phenyl-1H-indol-3-yl)-2,5-dihydro-1,5-benzothiazepine CAS Name: 4-(4-bromophenyl)-2-(2-phenyl-1H-indol-3-yl)-2,5-dihydro-1,5-benzothiazepine IUPAC Name: 4-(4-bromophenyl)-2-(2-phenyl-1H-indol-3-yl)-2,5-dihydro-1,5-benzothiazepine Traditional Name: 4-(4-bromophenyl)-2-(2-phenyl-1H-indol-3-yl)-2,5-dihydro-1,5-benzothiazepine Formula: C29H21BrN2S MolecularWeight: 509.45944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C4C=C(NC5=CC=CC=C5S4)C6=CC=C(C=C6)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C4C=C(NC5=CC=CC=C5S4)C6=CC=C(C=C6)Br

InChI

InChI=1S/C29H21BrN2S/c30-21-16-14-19(15-17-21)25-18-27(33-26-13-7-6-12-24(26)31-25)28-22-10-4-5-11-23(22)32-29(28)20-8-2-1-3-9-20/h1-18,27,31-32H