8-methyl-12-(4-methylpiperazin-1-yl)-[1]benzothiolo[2,3-b][1,5]benzothiazepine

Systemtic Name: 8-methyl-12-(4-methylpiperazin-1-yl)-[1]benzothiolo[2,3-b][1,5]benzothiazepine Openeye Name: 8-methyl-12-(4-methylpiperazin-1-yl)benzothiopheno[2,3-b][1,5]benzothiazepine CAS Name: 8-methyl-12-(4-methyl-1-piperazinyl)-[1]benzothiolo[2,3-b][1,5]benzothiazepine IUPAC Name: 8-methyl-12-(4-methylpiperazin-1-yl)-[1]benzothiolo[2,3-b][1,5]benzothiazepine Traditional Name: 8-methyl-12-(4-methylpiperazino)benzothiopheno[2,3-b][1,5]benzothiazepine Formula: C21H21N3S2 MolecularWeight: 379.54154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C3=C(S2)SC4=CC=CC=C43)N5CCN(CC5)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C3=C(S2)SC4=CC=CC=C43)N5CCN(CC5)C

InChI

InChI=1S/C21H21N3S2/c1-14-7-8-16-18(13-14)26-21-19(15-5-3-4-6-17(15)25-21)20(22-16)24-11-9-23(2)10-12-24/h3-8,13H,9-12H2,1-2H3