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

Systemtic Name: 8-methyl-12-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-b][1,5]benzoxazepine Openeye Name: 8-methyl-12-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydrobenzothiopheno[2,3-b][1,5]benzoxazepine CAS Name: 8-methyl-12-(4-methyl-1-piperazinyl)-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-b][1,5]benzoxazepine IUPAC Name: 8-methyl-12-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-b][1,5]benzoxazepine Traditional Name: 8-methyl-12-(4-methylpiperazino)-1,2,3,4-tetrahydrobenzothiopheno[2,3-b][1,5]benzoxazepine Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C3=C(O2)SC4=C3CCCC4)N5CCN(CC5)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C3=C(O2)SC4=C3CCCC4)N5CCN(CC5)C

InChI

InChI=1S/C21H25N3OS/c1-14-7-8-16-17(13-14)25-21-19(15-5-3-4-6-18(15)26-21)20(22-16)24-11-9-23(2)10-12-24/h7-8,13H,3-6,9-12H2,1-2H3