5-[(4-ethoxyphenyl)methyl]-3-(4-methylpiperazin-1-yl)carbonyl-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 5-[(4-ethoxyphenyl)methyl]-3-(4-methylpiperazin-1-yl)carbonyl-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-[(4-ethoxyphenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one CAS Name: 5-[(4-ethoxyphenyl)methyl]-3-[(4-methyl-1-piperazinyl)-oxomethyl]-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-[(4-ethoxyphenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-(4-ethoxybenzyl)-3-(4-methylpiperazine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Formula: C28H29N3O3S MolecularWeight: 487.61316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)N4CCN(CC4)C)SC5=CC=CC=C5C2=O

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)N4CCN(CC4)C)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C28H29N3O3S/c1-3-34-22-11-8-20(9-12-22)19-31-24-18-21(27(32)30-16-14-29(2)15-17-30)10-13-26(24)35-25-7-5-4-6-23(25)28(31)33/h4-13,18H,3,14-17,19H2,1-2H3