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

Systemtic Name: 3-(4-ethylpiperazin-1-yl)carbonyl-5H-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 3-(4-ethylpiperazine-1-carbonyl)-5H-benzo[b][1,4]benzothiazepin-6-one CAS Name: 3-[(4-ethyl-1-piperazinyl)-oxomethyl]-5H-benzo[b][1,4]benzothiazepin-6-one IUPAC Name: 3-(4-ethylpiperazine-1-carbonyl)-5H-benzo[b][1,4]benzothiazepin-6-one Traditional Name: 3-(4-ethylpiperazine-1-carbonyl)-5H-benzo[b][1,4]benzothiazepin-6-one Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C20H21N3O2S/c1-2-22-9-11-23(12-10-22)20(25)14-7-8-18-16(13-14)21-19(24)15-5-3-4-6-17(15)26-18/h3-8,13H,2,9-12H2,1H3,(H,21,24)