3-[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbonyl-5H-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 3-[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbonyl-5H-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5H-benzo[b][1,4]benzothiazepin-6-one CAS Name: 3-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-oxomethyl]-5H-benzo[b][1,4]benzothiazepin-6-one IUPAC Name: 3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5H-benzo[b][1,4]benzothiazepin-6-one Traditional Name: 3-[4-(2-furoyl)piperazine-1-carbonyl]-5H-benzo[b][1,4]benzothiazepin-6-one Formula: C23H19N3O4S MolecularWeight: 433.47966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3)C(=O)C5=CC=CO5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3)C(=O)C5=CC=CO5

InChI

InChI=1S/C23H19N3O4S/c27-21-16-4-1-2-6-19(16)31-20-8-7-15(14-17(20)24-21)22(28)25-9-11-26(12-10-25)23(29)18-5-3-13-30-18/h1-8,13-14H,9-12H2,(H,24,27)