8-chloranyl-N-[2-(dibutylamino)ethyl]-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 8-chloranyl-N-[2-(dibutylamino)ethyl]-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-chloro-N-[2-(dibutylamino)ethyl]-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-chloro-N-[2-(dibutylamino)ethyl]-6-methyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-chloro-N-[2-(dibutylamino)ethyl]-6-methylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-chloro-N-[2-(dibutylamino)ethyl]-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H32ClN3OS MolecularWeight: 458.05908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCNC(=O)C1=CC2=C(C=C1)SC3=C(C=C(C=C3)Cl)C(=N2)C

Isomeric SMILES

CCCCN(CCCC)CCNC(=O)C1=CC2=C(C=C1)SC3=C(C=C(C=C3)Cl)C(=N2)C

InChI

InChI=1S/C25H32ClN3OS/c1-4-6-13-29(14-7-5-2)15-12-27-25(30)19-8-10-24-22(16-19)28-18(3)21-17-20(26)9-11-23(21)31-24/h8-11,16-17H,4-7,12-15H2,1-3H3,(H,27,30)