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

Systemtic Name: 3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonyl-5-ethyl-11-oxidanylidene-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 3-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]-5-ethyl-11-oxo-benzo[b][1,4]benzothiazepin-6-one CAS Name: 3-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-oxomethyl]-5-ethyl-11-oxo-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-5-ethyl-11-oxobenzo[b][1,4]benzothiazepin-6-one Traditional Name: 3-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]-5-ethyl-11-keto-benzo[b][1,4]benzothiazepin-6-one Formula: C27H26ClN3O3S MolecularWeight: 508.03164

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=C(C=CC(=C4)Cl)C)S(=O)C5=CC=CC=C5C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=C(C=CC(=C4)Cl)C)S(=O)C5=CC=CC=C5C1=O

InChI

InChI=1S/C27H26ClN3O3S/c1-3-31-23-16-19(9-11-25(23)35(34)24-7-5-4-6-21(24)27(31)33)26(32)30-14-12-29(13-15-30)22-17-20(28)10-8-18(22)2/h4-11,16-17H,3,12-15H2,1-2H3