4-(4-bromophenyl)-2-(4-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepine

Systemtic Name: 4-(4-bromophenyl)-2-(4-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepine Openeye Name: 4-(4-bromophenyl)-2-(4-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepine CAS Name: 4-(4-bromophenyl)-2-(4-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepine IUPAC Name: 4-(4-bromophenyl)-2-(4-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepine Traditional Name: 4-(4-bromophenyl)-2-(4-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepine Formula: C22H18BrNOS MolecularWeight: 424.35342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C=C(NC3=CC=CC=C3S2)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2C=C(NC3=CC=CC=C3S2)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H18BrNOS/c1-25-18-12-8-16(9-13-18)22-14-20(15-6-10-17(23)11-7-15)24-19-4-2-3-5-21(19)26-22/h2-14,22,24H,1H3