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

Systemtic Name: 8-chloranyl-6-ethyl-N-(3-methylbutyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-chloro-6-ethyl-N-isopentyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-chloro-6-ethyl-N-(3-methylbutyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-chloro-6-ethyl-N-(3-methylbutyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-chloro-6-ethyl-N-isoamyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C21H23ClN2OS MolecularWeight: 386.93812

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NCCC(C)C)SC3=C1C=C(C=C3)Cl

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NCCC(C)C)SC3=C1C=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN2OS/c1-4-17-16-12-15(22)6-8-19(16)26-20-7-5-14(11-18(20)24-17)21(25)23-10-9-13(2)3/h5-8,11-13H,4,9-10H2,1-3H3,(H,23,25)