N-(2-diethylaminoethyl)-5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-(2-diethylaminoethyl)-5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(2-diethylaminoethyl)-5-methyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(2-diethylaminoethyl)-5-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(2-diethylaminoethyl)-5-methyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(2-diethylaminoethyl)-6-keto-5-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C21H25N3O2S/c1-4-24(5-2)13-12-22-20(25)15-10-11-19-17(14-15)23(3)21(26)16-8-6-7-9-18(16)27-19/h6-11,14H,4-5,12-13H2,1-3H3,(H,22,25)