1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)but-2-en-1-one

Systemtic Name: 1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)but-2-en-1-one Openeye Name: 1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)but-2-en-1-one CAS Name: 1-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-buten-1-one IUPAC Name: 1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)but-2-en-1-one Traditional Name: 1-[4-(1,2-benzothiazol-3-yl)piperazino]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)but-2-en-1-one Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CCN(CC1)C2=NSC3=CC=CC=C32)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

CC(=CC(=O)N1CCN(CC1)C2=NSC3=CC=CC=C32)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C24H25N3O3S/c1-17(18-7-8-20-21(16-18)30-14-4-13-29-20)15-23(28)26-9-11-27(12-10-26)24-19-5-2-3-6-22(19)31-25-24/h2-3,5-8,15-16H,4,9-14H2,1H3