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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=CC4=C(C=C3)S(=O)C5=CC=CC=C5C(=O)N4CC6=CC=CC=C6F

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=CC4=C(C=C3)S(=O)C5=CC=CC=C5C(=O)N4CC6=CC=CC=C6F

InChI

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