3-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylchromen-2-one

Systemtic Name: 3-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylchromen-2-one Openeye Name: 3-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]chromen-2-one CAS Name: 3-[[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]chromen-2-one Traditional Name: 3-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]coumarin Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5OC4=O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5OC4=O)C

InChI

InChI=1S/C23H21N3O3S/c1-14-7-8-19-20(15(14)2)24-23(30-19)26-11-9-25(10-12-26)21(27)17-13-16-5-3-4-6-18(16)29-22(17)28/h3-8,13H,9-12H2,1-2H3