3-(4-ethylpiperazin-1-yl)carbonyl-11-oxidanylidene-5-(phenylmethyl)benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 3-(4-ethylpiperazin-1-yl)carbonyl-11-oxidanylidene-5-(phenylmethyl)benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-benzyl-3-(4-ethylpiperazine-1-carbonyl)-11-oxo-benzo[b][1,4]benzothiazepin-6-one CAS Name: 3-[(4-ethyl-1-piperazinyl)-oxomethyl]-11-oxo-5-(phenylmethyl)-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-benzyl-3-(4-ethylpiperazine-1-carbonyl)-11-oxobenzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-benzyl-3-(4-ethylpiperazine-1-carbonyl)-11-keto-benzo[b][1,4]benzothiazepin-6-one Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=CC3=C(C=C2)S(=O)C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=CC3=C(C=C2)S(=O)C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C27H27N3O3S/c1-2-28-14-16-29(17-15-28)26(31)21-12-13-25-23(18-21)30(19-20-8-4-3-5-9-20)27(32)22-10-6-7-11-24(22)34(25)33/h3-13,18H,2,14-17,19H2,1H3