N-propyl-5-pyridin-3-yl-pyrido[3,2-b][1,5]benzothiazepine-8-carboxamide

Systemtic Name: N-propyl-5-pyridin-3-yl-pyrido[3,2-b][1,5]benzothiazepine-8-carboxamide Openeye Name: N-propyl-5-(3-pyridyl)pyrido[3,2-b][1,5]benzothiazepine-8-carboxamide CAS Name: N-propyl-5-(3-pyridinyl)-8-pyrido[3,2-b][1,5]benzothiazepinecarboxamide IUPAC Name: N-propyl-5-pyridin-3-ylpyrido[3,2-b][1,5]benzothiazepine-8-carboxamide Traditional Name: N-propyl-5-(3-pyridyl)pyrido[3,2-b][1,5]benzothiazepine-8-carboxamide Formula: C21H18N4OS MolecularWeight: 374.45882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC2=C(C=C1)SC3=C(C(=N2)C4=CN=CC=C4)N=CC=C3

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C1)SC3=C(C(=N2)C4=CN=CC=C4)N=CC=C3

InChI

InChI=1S/C21H18N4OS/c1-2-9-24-21(26)14-7-8-17-16(12-14)25-19(15-5-3-10-22-13-15)20-18(27-17)6-4-11-23-20/h3-8,10-13H,2,9H2,1H3,(H,24,26)