1-(2-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine

Systemtic Name: 1-(2-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine Openeye Name: 1-(2-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine CAS Name: 1-(2-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine IUPAC Name: 1-(2-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine Traditional Name: 1-(2-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine Formula: C21H26N2S MolecularWeight: 338.50954

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(CC3=CC=CC=C3S2)N4CCN(CC4)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(CC3=CC=CC=C3S2)N4CCN(CC4)C

InChI

InChI=1S/C21H26N2S/c1-3-16-8-9-18-19(23-12-10-22(2)11-13-23)15-17-6-4-5-7-20(17)24-21(18)14-16/h4-9,14,19H,3,10-13,15H2,1-2H3