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

Systemtic Name: N-[3-(diethylamino)propyl]-5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[3-(diethylamino)propyl]-5-methyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[3-(diethylamino)propyl]-5-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[3-(diethylamino)propyl]-5-methyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-[3-(diethylamino)propyl]-6-keto-5-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c1-4-25(5-2)14-8-13-23-21(26)16-11-12-20-18(15-16)24(3)22(27)17-9-6-7-10-19(17)28-20/h6-7,9-12,15H,4-5,8,13-14H2,1-3H3,(H,23,26)