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

Systemtic Name: ethyl N-[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]carbamate Openeye Name: ethyl N-[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]carbamate CAS Name: N-[5-(4-methyl-1-piperazinyl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]carbamate Traditional Name: N-[5-(4-methylpiperazino)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]carbamic acid ethyl ester Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)C

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)C

InChI

InChI=1S/C22H27N3O2S/c1-3-27-22(26)23-17-8-9-21-18(15-17)19(25-12-10-24(2)11-13-25)14-16-6-4-5-7-20(16)28-21/h4-9,15,19H,3,10-14H2,1-2H3,(H,23,26)