7-[4-(2-ethoxyphenyl)piperazin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-[4-(2-ethoxyphenyl)piperazin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[4-(2-ethoxyphenyl)-1-piperazinyl]-oxomethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-(4-o-phenetylpiperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C22H25N3O3S/c1-2-28-19-6-4-3-5-18(19)24-10-12-25(13-11-24)22(27)16-7-8-20-17(15-16)23-21(26)9-14-29-20/h3-8,15H,2,9-14H2,1H3,(H,23,26)