3-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]carbonyl-8-methoxy-chromen-2-one

Systemtic Name: 3-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]carbonyl-8-methoxy-chromen-2-one Openeye Name: 3-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazine-1-carbonyl]-8-methoxy-chromen-2-one CAS Name: 3-[[4-[1-(1,3-benzothiazol-2-yl)ethyl]-1-piperazinyl]-oxomethyl]-8-methoxy-1-benzopyran-2-one IUPAC Name: 3-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazine-1-carbonyl]-8-methoxychromen-2-one Traditional Name: 3-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazine-1-carbonyl]-8-methoxy-coumarin Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)C(=O)C4=CC5=C(C(=CC=C5)OC)OC4=O

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)C(=O)C4=CC5=C(C(=CC=C5)OC)OC4=O

InChI

InChI=1S/C24H23N3O4S/c1-15(22-25-18-7-3-4-9-20(18)32-22)26-10-12-27(13-11-26)23(28)17-14-16-6-5-8-19(30-2)21(16)31-24(17)29/h3-9,14-15H,10-13H2,1-2H3