N-butyl-5-(3-chlorophenyl)pyrimido[4,5-b][1,5]benzothiazepine-8-carboxamide

Systemtic Name: N-butyl-5-(3-chlorophenyl)pyrimido[4,5-b][1,5]benzothiazepine-8-carboxamide Openeye Name: N-butyl-5-(3-chlorophenyl)pyrimido[4,5-b][1,5]benzothiazepine-8-carboxamide CAS Name: N-butyl-5-(3-chlorophenyl)-8-pyrimido[4,5-b][1,5]benzothiazepinecarboxamide IUPAC Name: N-butyl-5-(3-chlorophenyl)pyrimido[4,5-b][1,5]benzothiazepine-8-carboxamide Traditional Name: N-butyl-5-(3-chlorophenyl)pyrimido[4,5-b][1,5]benzothiazepine-8-carboxamide Formula: C22H19ClN4OS MolecularWeight: 422.93046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC2=C(C=C1)SC3=NC=NC=C3C(=N2)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCCCNC(=O)C1=CC2=C(C=C1)SC3=NC=NC=C3C(=N2)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H19ClN4OS/c1-2-3-9-25-21(28)15-7-8-19-18(11-15)27-20(14-5-4-6-16(23)10-14)17-12-24-13-26-22(17)29-19/h4-8,10-13H,2-3,9H2,1H3,(H,25,28)