N-[6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]ethanamide

Systemtic Name: N-[6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]ethanamide Openeye Name: N-[6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]acetamide CAS Name: N-[6-(4-methyl-1-piperazinyl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]acetamide IUPAC Name: N-[6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]acetamide Traditional Name: N-[6-(4-methylpiperazino)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]acetamide Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3C(C2)N4CCN(CC4)C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3C(C2)N4CCN(CC4)C

InChI

InChI=1S/C21H25N3OS/c1-15(25)22-17-7-8-20-16(13-17)14-19(24-11-9-23(2)10-12-24)18-5-3-4-6-21(18)26-20/h3-8,13,19H,9-12,14H2,1-2H3,(H,22,25)