N,5-bis[(2-chlorophenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N,5-bis[(2-chlorophenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N,5-bis[(2-chlorophenyl)methyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N,5-bis[(2-chlorophenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N,5-bis[(2-chlorophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N,5-bis(2-chlorobenzyl)-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C28H20Cl2N2O2S MolecularWeight: 519.4416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5Cl)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5Cl)Cl

InChI

InChI=1S/C28H20Cl2N2O2S/c29-22-10-4-1-7-19(22)16-31-27(33)18-13-14-26-24(15-18)32(17-20-8-2-5-11-23(20)30)28(34)21-9-3-6-12-25(21)35-26/h1-15H,16-17H2,(H,31,33)