2-methyl-4-[(3S)-4-methyl-3-phenethyl-piperazin-1-yl]thieno[2,3-b][1,5]benzothiazepine

Systemtic Name: 2-methyl-4-[(3S)-4-methyl-3-phenethyl-piperazin-1-yl]thieno[2,3-b][1,5]benzothiazepine Openeye Name: 2-methyl-4-[(3S)-4-methyl-3-phenethyl-piperazin-1-yl]thieno[2,3-b][1,5]benzothiazepine CAS Name: 2-methyl-4-[(3S)-4-methyl-3-phenethyl-1-piperazinyl]thieno[2,3-b][1,5]benzothiazepine IUPAC Name: 2-methyl-4-[(3S)-4-methyl-3-phenethylpiperazin-1-yl]thieno[2,3-b][1,5]benzothiazepine Traditional Name: 2-methyl-4-[(3S)-4-methyl-3-phenethyl-piperazino]thieno[2,3-b][1,5]benzothiazepine Formula: C25H27N3S2 MolecularWeight: 433.63198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)SC3=CC=CC=C3N=C2N4CCN(C(C4)CCC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC2=C(S1)SC3=CC=CC=C3N=C2N4CCN([C@H](C4)CCC5=CC=CC=C5)C

InChI

InChI=1S/C25H27N3S2/c1-18-16-21-24(26-22-10-6-7-11-23(22)30-25(21)29-18)28-15-14-27(2)20(17-28)13-12-19-8-4-3-5-9-19/h3-11,16,20H,12-15,17H2,1-2H3/t20-/m0/s1