3-(4-ethylpiperazin-1-yl)carbonyl-5-[(2-fluorophenyl)methyl]-11-oxidanylidene-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 3-(4-ethylpiperazin-1-yl)carbonyl-5-[(2-fluorophenyl)methyl]-11-oxidanylidene-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 3-(4-ethylpiperazine-1-carbonyl)-5-[(2-fluorophenyl)methyl]-11-oxo-benzo[b][1,4]benzothiazepin-6-one CAS Name: 3-[(4-ethyl-1-piperazinyl)-oxomethyl]-5-[(2-fluorophenyl)methyl]-11-oxo-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 3-(4-ethylpiperazine-1-carbonyl)-5-[(2-fluorophenyl)methyl]-11-oxobenzo[b][1,4]benzothiazepin-6-one Traditional Name: 3-(4-ethylpiperazine-1-carbonyl)-5-(2-fluorobenzyl)-11-keto-benzo[b][1,4]benzothiazepin-6-one Formula: C27H26FN3O3S MolecularWeight: 491.577043

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=CC3=C(C=C2)S(=O)C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5F

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=CC3=C(C=C2)S(=O)C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5F

InChI

InChI=1S/C27H26FN3O3S/c1-2-29-13-15-30(16-14-29)26(32)19-11-12-25-23(17-19)31(18-20-7-3-5-9-22(20)28)27(33)21-8-4-6-10-24(21)35(25)34/h3-12,17H,2,13-16,18H2,1H3