N-(2-diethylaminoethyl)-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-(2-diethylaminoethyl)-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(2-diethylaminoethyl)-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(2-diethylaminoethyl)-8-methyl-6-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(2-diethylaminoethyl)-8-methyl-6-propylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(2-diethylaminoethyl)-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H31N3OS MolecularWeight: 409.58744

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC(=C2)C(=O)NCCN(CC)CC)SC3=C1C=C(C=C3)C

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)NCCN(CC)CC)SC3=C1C=C(C=C3)C

InChI

InChI=1S/C24H31N3OS/c1-5-8-20-19-15-17(4)9-11-22(19)29-23-12-10-18(16-21(23)26-20)24(28)25-13-14-27(6-2)7-3/h9-12,15-16H,5-8,13-14H2,1-4H3,(H,25,28)