1-(3-butyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine

Systemtic Name: 1-(3-butyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine Openeye Name: 1-(3-butyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine CAS Name: 1-(3-butyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine IUPAC Name: 1-(3-butyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine Traditional Name: 1-(3-butyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine Formula: C23H30N2S MolecularWeight: 366.5627

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)C

InChI

InChI=1S/C23H30N2S/c1-3-4-7-18-10-11-23-20(16-18)21(25-14-12-24(2)13-15-25)17-19-8-5-6-9-22(19)26-23/h5-6,8-11,16,21H,3-4,7,12-15,17H2,1-2H3