3-(4-methylpiperazin-1-yl)carbonyl-5H-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 3-(4-methylpiperazin-1-yl)carbonyl-5H-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 3-(4-methylpiperazine-1-carbonyl)-5H-benzo[b][1,4]benzothiazepin-6-one CAS Name: 3-[(4-methyl-1-piperazinyl)-oxomethyl]-5H-benzo[b][1,4]benzothiazepin-6-one IUPAC Name: 3-(4-methylpiperazine-1-carbonyl)-5H-benzo[b][1,4]benzothiazepin-6-one Traditional Name: 3-(4-methylpiperazine-1-carbonyl)-5H-benzo[b][1,4]benzothiazepin-6-one Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C19H19N3O2S/c1-21-8-10-22(11-9-21)19(24)13-6-7-17-15(12-13)20-18(23)14-4-2-3-5-16(14)25-17/h2-7,12H,8-11H2,1H3,(H,20,23)