N-butyl-6-(5-methylthiophen-2-yl)pyrido[3,2-b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-butyl-6-(5-methylthiophen-2-yl)pyrido[3,2-b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-butyl-6-(5-methyl-2-thienyl)pyrido[3,2-b][1,4]benzothiazepine-3-carboxamide CAS Name: N-butyl-6-(5-methyl-2-thiophenyl)-3-pyrido[3,2-b][1,4]benzothiazepinecarboxamide IUPAC Name: N-butyl-6-(5-methylthiophen-2-yl)pyrido[3,2-b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-butyl-6-(5-methyl-2-thienyl)pyrido[3,2-b][1,4]benzothiazepine-3-carboxamide Formula: C22H21N3OS2 MolecularWeight: 407.55164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=NC2=C(C=C1)SC3=CC=CC=C3C(=N2)C4=CC=C(S4)C

Isomeric SMILES

CCCCNC(=O)C1=NC2=C(C=C1)SC3=CC=CC=C3C(=N2)C4=CC=C(S4)C

InChI

InChI=1S/C22H21N3OS2/c1-3-4-13-23-22(26)16-10-12-19-21(24-16)25-20(18-11-9-14(2)27-18)15-7-5-6-8-17(15)28-19/h5-12H,3-4,13H2,1-2H3,(H,23,26)