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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=CC(=CC=C4)Cl

Isomeric SMILES

CCC(C)NC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=CC(=CC=C4)Cl

InChI

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