N-[2-(4-ethylpiperazin-1-yl)ethyl]-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[2-(4-ethylpiperazin-1-yl)ethyl]-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[2-(4-ethylpiperazin-1-yl)ethyl]-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[2-(4-ethyl-1-piperazinyl)ethyl]-6-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[2-(4-ethylpiperazin-1-yl)ethyl]-6-propylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-[2-(4-ethylpiperazino)ethyl]-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H32N4OS MolecularWeight: 436.61278

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC(=C2)C(=O)NCCN3CCN(CC3)CC)SC4=CC=CC=C41

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)NCCN3CCN(CC3)CC)SC4=CC=CC=C41

InChI

InChI=1S/C25H32N4OS/c1-3-7-21-20-8-5-6-9-23(20)31-24-11-10-19(18-22(24)27-21)25(30)26-12-13-29-16-14-28(4-2)15-17-29/h5-6,8-11,18H,3-4,7,12-17H2,1-2H3,(H,26,30)