4-(4-bromophenyl)-3-(4-nitrophenoxy)-2-phenyl-2,5-dihydro-1,5-benzothiazepine

Systemtic Name: 4-(4-bromophenyl)-3-(4-nitrophenoxy)-2-phenyl-2,5-dihydro-1,5-benzothiazepine Openeye Name: 4-(4-bromophenyl)-3-(4-nitrophenoxy)-2-phenyl-2,5-dihydro-1,5-benzothiazepine CAS Name: 4-(4-bromophenyl)-3-(4-nitrophenoxy)-2-phenyl-2,5-dihydro-1,5-benzothiazepine IUPAC Name: 4-(4-bromophenyl)-3-(4-nitrophenoxy)-2-phenyl-2,5-dihydro-1,5-benzothiazepine Traditional Name: 4-(4-bromophenyl)-3-(4-nitrophenoxy)-2-phenyl-2,5-dihydro-1,5-benzothiazepine Formula: C27H19BrN2O3S MolecularWeight: 531.42036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(=C(NC3=CC=CC=C3S2)C4=CC=C(C=C4)Br)OC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2C(=C(NC3=CC=CC=C3S2)C4=CC=C(C=C4)Br)OC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H19BrN2O3S/c28-20-12-10-18(11-13-20)25-26(33-22-16-14-21(15-17-22)30(31)32)27(19-6-2-1-3-7-19)34-24-9-5-4-8-23(24)29-25/h1-17,27,29H