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

Systemtic Name: 5-[(4-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)carbonyl-11-oxidanylidene-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-[(4-chlorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)-11-oxo-benzo[b][1,4]benzothiazepin-6-one CAS Name: 5-[(4-chlorophenyl)methyl]-3-[(4-methyl-1-piperazinyl)-oxomethyl]-11-oxo-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-[(4-chlorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)-11-oxobenzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-(4-chlorobenzyl)-11-keto-3-(4-methylpiperazine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Formula: C26H24ClN3O3S MolecularWeight: 494.00506

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)S(=O)C4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)Cl

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)S(=O)C4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H24ClN3O3S/c1-28-12-14-29(15-13-28)25(31)19-8-11-24-22(16-19)30(17-18-6-9-20(27)10-7-18)26(32)21-4-2-3-5-23(21)34(24)33/h2-11,16H,12-15,17H2,1H3