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

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(2-methyl-3-nitrophenyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-keto-N-(2-methyl-3-nitro-phenyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C21H15N3O4S MolecularWeight: 405.4265

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C21H15N3O4S/c1-12-15(6-4-7-17(12)24(27)28)22-20(25)13-9-10-19-16(11-13)23-21(26)14-5-2-3-8-18(14)29-19/h2-11H,1H3,(H,22,25)(H,23,26)