8-butyl-7-ethyl-6-propan-2-yl-4-(4-propan-2-ylpiperazin-1-yl)thieno[3,4-b][1,5]benzothiazepine

Systemtic Name: 8-butyl-7-ethyl-6-propan-2-yl-4-(4-propan-2-ylpiperazin-1-yl)thieno[3,4-b][1,5]benzothiazepine Openeye Name: 8-butyl-7-ethyl-6-isopropyl-4-(4-isopropylpiperazin-1-yl)thieno[3,4-b][1,5]benzothiazepine CAS Name: 8-butyl-7-ethyl-6-propan-2-yl-4-(4-propan-2-yl-1-piperazinyl)thieno[3,4-b][1,5]benzothiazepine IUPAC Name: 8-butyl-7-ethyl-6-propan-2-yl-4-(4-propan-2-ylpiperazin-1-yl)thieno[3,4-b][1,5]benzothiazepine Traditional Name: 8-butyl-7-ethyl-6-isopropyl-4-(4-isopropylpiperazino)thieno[3,4-b][1,5]benzothiazepine Formula: C27H39N3S2 MolecularWeight: 469.74866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C(=C1CC)C(C)C)N=C(C3=CSC=C3S2)N4CCN(CC4)C(C)C

Isomeric SMILES

CCCCC1=CC2=C(C(=C1CC)C(C)C)N=C(C3=CSC=C3S2)N4CCN(CC4)C(C)C

InChI

InChI=1S/C27H39N3S2/c1-7-9-10-20-15-23-26(25(18(3)4)21(20)8-2)28-27(22-16-31-17-24(22)32-23)30-13-11-29(12-14-30)19(5)6/h15-19H,7-14H2,1-6H3