3-methoxy-2-(4-methoxyphenyl)-6,7-dimethyl-5-[2-(4-methylpiperazin-1-yl)ethanoyl]-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 3-methoxy-2-(4-methoxyphenyl)-6,7-dimethyl-5-[2-(4-methylpiperazin-1-yl)ethanoyl]-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 3-methoxy-2-(4-methoxyphenyl)-6,7-dimethyl-5-[2-(4-methylpiperazin-1-yl)acetyl]-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 3-methoxy-2-(4-methoxyphenyl)-6,7-dimethyl-5-[2-(4-methyl-1-piperazinyl)-1-oxoethyl]-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 3-methoxy-2-(4-methoxyphenyl)-6,7-dimethyl-5-[2-(4-methylpiperazin-1-yl)acetyl]-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 3-methoxy-2-(4-methoxyphenyl)-6,7-dimethyl-5-[2-(4-methylpiperazino)acetyl]-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(C(C(=O)N2C(=O)CN3CCN(CC3)C)OC)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(C(C(=O)N2C(=O)CN3CCN(CC3)C)OC)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C26H33N3O4S/c1-17-6-11-21-23(18(17)2)29(22(30)16-28-14-12-27(3)13-15-28)26(31)24(33-5)25(34-21)19-7-9-20(32-4)10-8-19/h6-11,24-25H,12-16H2,1-5H3