8-chloranyl-N-cyclohexyl-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 8-chloranyl-N-cyclohexyl-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-chloro-N-cyclohexyl-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-chloro-N-cyclohexyl-6-methyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-chloro-N-cyclohexyl-6-methylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-chloro-N-cyclohexyl-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C21H21ClN2OS MolecularWeight: 384.92224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)C(=O)NC3CCCCC3)SC4=C1C=C(C=C4)Cl

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)C(=O)NC3CCCCC3)SC4=C1C=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN2OS/c1-13-17-12-15(22)8-10-19(17)26-20-9-7-14(11-18(20)23-13)21(25)24-16-5-3-2-4-6-16/h7-12,16H,2-6H2,1H3,(H,24,25)