N-[3-(diethylamino)propyl]-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[3-(diethylamino)propyl]-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[3-(diethylamino)propyl]-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[3-(diethylamino)propyl]-6-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[3-(diethylamino)propyl]-6-propylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-[3-(diethylamino)propyl]-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)NCCCN(CC)CC)SC3=CC=CC=C31

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)NCCCN(CC)CC)SC3=CC=CC=C31

InChI

InChI=1S/C24H31N3OS/c1-4-10-20-19-11-7-8-12-22(19)29-23-14-13-18(17-21(23)26-20)24(28)25-15-9-16-27(5-2)6-3/h7-8,11-14,17H,4-6,9-10,15-16H2,1-3H3,(H,25,28)