N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[3-(4-cyclohexyl-1-piperazinyl)propyl]-6-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-6-propylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-[3-(4-cyclohexylpiperazino)propyl]-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C30H40N4OS MolecularWeight: 504.7298

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC(=C2)C(=O)NCCCN3CCN(CC3)C4CCCCC4)SC5=CC=CC=C51

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)NCCCN3CCN(CC3)C4CCCCC4)SC5=CC=CC=C51

InChI

InChI=1S/C30H40N4OS/c1-2-9-26-25-12-6-7-13-28(25)36-29-15-14-23(22-27(29)32-26)30(35)31-16-8-17-33-18-20-34(21-19-33)24-10-4-3-5-11-24/h6-7,12-15,22,24H,2-5,8-11,16-21H2,1H3,(H,31,35)