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

Systemtic Name: N-(2-dimethylaminoethyl)-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(2-dimethylaminoethyl)-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(2-dimethylaminoethyl)-6-ethyl-8-methyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(2-dimethylaminoethyl)-6-ethyl-8-methylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(2-dimethylaminoethyl)-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3OS/c1-5-17-16-12-14(2)6-8-19(16)26-20-9-7-15(13-18(20)23-17)21(25)22-10-11-24(3)4/h6-9,12-13H,5,10-11H2,1-4H3,(H,22,25)