6,7-dibutyl-1-chloranyl-4-(4-ethylpiperazin-1-yl)-8-methyl-thieno[3,4-b][1,5]benzothiazepine

Systemtic Name: 6,7-dibutyl-1-chloranyl-4-(4-ethylpiperazin-1-yl)-8-methyl-thieno[3,4-b][1,5]benzothiazepine Openeye Name: 6,7-dibutyl-1-chloro-4-(4-ethylpiperazin-1-yl)-8-methyl-thieno[3,4-b][1,5]benzothiazepine CAS Name: 6,7-dibutyl-1-chloro-4-(4-ethyl-1-piperazinyl)-8-methylthieno[3,4-b][1,5]benzothiazepine IUPAC Name: 6,7-dibutyl-1-chloro-4-(4-ethylpiperazin-1-yl)-8-methylthieno[3,4-b][1,5]benzothiazepine Traditional Name: 6,7-dibutyl-1-chloro-4-(4-ethylpiperazino)-8-methyl-thieno[3,4-b][1,5]benzothiazepine Formula: C26H36ClN3S2 MolecularWeight: 490.16714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(C=C1C)SC3=C(SC=C3C(=N2)N4CCN(CC4)CC)Cl)CCCC

Isomeric SMILES

CCCCC1=C(C2=C(C=C1C)SC3=C(SC=C3C(=N2)N4CCN(CC4)CC)Cl)CCCC

InChI

InChI=1S/C26H36ClN3S2/c1-5-8-10-19-18(4)16-22-23(20(19)11-9-6-2)28-26(21-17-31-25(27)24(21)32-22)30-14-12-29(7-3)13-15-30/h16-17H,5-15H2,1-4H3