N-(3-ethoxypropyl)-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-(3-ethoxypropyl)-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(3-ethoxypropyl)-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(3-ethoxypropyl)-6-ethyl-8-methyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(3-ethoxypropyl)-6-ethyl-8-methylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(3-ethoxypropyl)-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NCCCOCC)SC3=C1C=C(C=C3)C

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NCCCOCC)SC3=C1C=C(C=C3)C

InChI

InChI=1S/C22H26N2O2S/c1-4-18-17-13-15(3)7-9-20(17)27-21-10-8-16(14-19(21)24-18)22(25)23-11-6-12-26-5-2/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,23,25)