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

Systemtic Name: 3-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylchromen-2-one Openeye Name: 3-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]chromen-2-one CAS Name: 3-[[4-(4-methoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]chromen-2-one Traditional Name: 3-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]coumarin Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

COC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C22H19N3O4S/c1-28-17-7-4-8-18-19(17)23-22(30-18)25-11-9-24(10-12-25)20(26)15-13-14-5-2-3-6-16(14)29-21(15)27/h2-8,13H,9-12H2,1H3