6-phenyl-N-piperidin-1-yl-pyrimido[5,4-b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-phenyl-N-piperidin-1-yl-pyrimido[5,4-b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-phenyl-N-(1-piperidyl)pyrimido[5,4-b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-phenyl-N-(1-piperidinyl)-3-pyrimido[5,4-b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-phenyl-N-piperidin-1-ylpyrimido[5,4-b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-phenyl-N-piperidino-pyrimido[5,4-b][1,4]benzothiazepine-3-carboxamide Formula: C23H21N5OS MolecularWeight: 415.51074

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)NC(=O)C2=NC=C3C(=N2)N=C(C4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)NC(=O)C2=NC=C3C(=N2)N=C(C4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C23H21N5OS/c29-23(27-28-13-7-2-8-14-28)22-24-15-19-21(26-22)25-20(16-9-3-1-4-10-16)17-11-5-6-12-18(17)30-19/h1,3-6,9-12,15H,2,7-8,13-14H2,(H,27,29)