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

Systemtic Name: 3-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-5H-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5H-benzo[b][1,4]benzothiazepin-6-one CAS Name: 3-[[4-(4-methoxyphenyl)-1-piperazinyl]-oxomethyl]-5H-benzo[b][1,4]benzothiazepin-6-one IUPAC Name: 3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5H-benzo[b][1,4]benzothiazepin-6-one Traditional Name: 3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5H-benzo[b][1,4]benzothiazepin-6-one Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5C(=O)N4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5C(=O)N4

InChI

InChI=1S/C25H23N3O3S/c1-31-19-9-7-18(8-10-19)27-12-14-28(15-13-27)25(30)17-6-11-23-21(16-17)26-24(29)20-4-2-3-5-22(20)32-23/h2-11,16H,12-15H2,1H3,(H,26,29)