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

Systemtic Name: 6-oxidanylidene-N-(2,4,6-trimethylphenyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-oxo-N-(2,4,6-trimethylphenyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-oxo-N-(2,4,6-trimethylphenyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: 6-oxo-N-(2,4,6-trimethylphenyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-keto-N-mesityl-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H20N2O2S MolecularWeight: 388.4821

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3)C

InChI

InChI=1S/C23H20N2O2S/c1-13-10-14(2)21(15(3)11-13)25-22(26)16-8-9-20-18(12-16)24-23(27)17-6-4-5-7-19(17)28-20/h4-12H,1-3H3,(H,24,27)(H,25,26)