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

Systemtic Name: 5-[(2,5-dimethylphenyl)methyl]-3-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-11-oxidanylidene-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-[(2,5-dimethylphenyl)methyl]-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-11-oxo-benzo[b][1,4]benzothiazepin-6-one CAS Name: 5-[(2,5-dimethylphenyl)methyl]-3-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]-11-oxo-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-[(2,5-dimethylphenyl)methyl]-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-11-oxobenzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-(2,5-dimethylbenzyl)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-11-keto-benzo[b][1,4]benzothiazepin-6-one Formula: C33H30FN3O3S MolecularWeight: 567.673003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C3=C(C=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5F)S(=O)C6=CC=CC=C6C2=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C3=C(C=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5F)S(=O)C6=CC=CC=C6C2=O

InChI

InChI=1S/C33H30FN3O3S/c1-22-11-12-23(2)25(19-22)21-37-29-20-24(13-14-31(29)41(40)30-10-6-3-7-26(30)33(37)39)32(38)36-17-15-35(16-18-36)28-9-5-4-8-27(28)34/h3-14,19-20H,15-18,21H2,1-2H3