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

Systemtic Name: N-butyl-5-[(2-chlorophenyl)methyl]-N-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-butyl-5-[(2-chlorophenyl)methyl]-N-ethyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-butyl-5-[(2-chlorophenyl)methyl]-N-ethyl-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-butyl-5-[(2-chlorophenyl)methyl]-N-ethyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-butyl-5-(2-chlorobenzyl)-N-ethyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C27H27ClN2O2S MolecularWeight: 479.03348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27ClN2O2S/c1-3-5-16-29(4-2)26(31)19-14-15-25-23(17-19)30(18-20-10-6-8-12-22(20)28)27(32)21-11-7-9-13-24(21)33-25/h6-15,17H,3-5,16,18H2,1-2H3