N-butyl-4-pyridin-2-yl-thieno[2,3-b][1,5]benzothiazepine-7-carboxamide

Systemtic Name: N-butyl-4-pyridin-2-yl-thieno[2,3-b][1,5]benzothiazepine-7-carboxamide Openeye Name: N-butyl-4-(2-pyridyl)thieno[2,3-b][1,5]benzothiazepine-7-carboxamide CAS Name: N-butyl-4-(2-pyridinyl)-7-thieno[2,3-b][1,5]benzothiazepinecarboxamide IUPAC Name: N-butyl-4-pyridin-2-ylthieno[2,3-b][1,5]benzothiazepine-7-carboxamide Traditional Name: N-butyl-4-(2-pyridyl)thieno[2,3-b][1,5]benzothiazepine-7-carboxamide Formula: C21H19N3OS2 MolecularWeight: 393.52506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC2=C(C=C1)SC3=C(C=CS3)C(=N2)C4=CC=CC=N4

Isomeric SMILES

CCCCNC(=O)C1=CC2=C(C=C1)SC3=C(C=CS3)C(=N2)C4=CC=CC=N4

InChI

InChI=1S/C21H19N3OS2/c1-2-3-10-23-20(25)14-7-8-18-17(13-14)24-19(16-6-4-5-11-22-16)15-9-12-26-21(15)27-18/h4-9,11-13H,2-3,10H2,1H3,(H,23,25)