N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[(1-ethyl-2-pyrrolidinyl)methyl]-6-methyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=N3)C

Isomeric SMILES

CCN1CCCC1CNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=N3)C

InChI

InChI=1S/C22H25N3OS/c1-3-25-12-6-7-17(25)14-23-22(26)16-10-11-21-19(13-16)24-15(2)18-8-4-5-9-20(18)27-21/h4-5,8-11,13,17H,3,6-7,12,14H2,1-2H3,(H,23,26)