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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=N2)C

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=N2)C

InChI

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