8-chloranyl-N-cyclopentyl-6-ethyl-benzo[b][1,4]benzothiazepine-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NC3CCCC3)SC4=C1C=C(C=C4)Cl

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NC3CCCC3)SC4=C1C=C(C=C4)Cl

InChI

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