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

Systemtic Name: N-butyl-5-[(2-chlorophenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-butyl-5-[(2-chlorophenyl)methyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-butyl-5-[(2-chlorophenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-butyl-5-[(2-chlorophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-butyl-5-(2-chlorobenzyl)-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H23ClN2O2S MolecularWeight: 450.98032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4Cl

Isomeric SMILES

CCCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4Cl

InChI

InChI=1S/C25H23ClN2O2S/c1-2-3-14-27-24(29)17-12-13-23-21(15-17)28(16-18-8-4-6-10-20(18)26)25(30)19-9-5-7-11-22(19)31-23/h4-13,15H,2-3,14,16H2,1H3,(H,27,29)