5-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 5-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-allyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one CAS Name: 3-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-5-prop-2-enyl-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-allyl-3-[4-(2-pyrimidyl)piperazine-1-carbonyl]benzo[b][1,4]benzothiazepin-6-one Formula: C25H23N5O2S MolecularWeight: 457.54742

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)SC5=CC=CC=C5C1=O

Isomeric SMILES

C=CCN1C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)SC5=CC=CC=C5C1=O

InChI

InChI=1S/C25H23N5O2S/c1-2-12-30-20-17-18(8-9-22(20)33-21-7-4-3-6-19(21)24(30)32)23(31)28-13-15-29(16-14-28)25-26-10-5-11-27-25/h2-11,17H,1,12-16H2