3-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]carbonylchromen-2-one

Systemtic Name: 3-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]carbonylchromen-2-one Openeye Name: 3-[4-[(4-tert-butylthiazol-2-yl)methyl]piperazine-1-carbonyl]chromen-2-one CAS Name: 3-[[4-[(4-tert-butyl-2-thiazolyl)methyl]-1-piperazinyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazine-1-carbonyl]chromen-2-one Traditional Name: 3-[4-[(4-tert-butylthiazol-2-yl)methyl]piperazine-1-carbonyl]coumarin Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)CN2CCN(CC2)C(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)CN2CCN(CC2)C(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C22H25N3O3S/c1-22(2,3)18-14-29-19(23-18)13-24-8-10-25(11-9-24)20(26)16-12-15-6-4-5-7-17(15)28-21(16)27/h4-7,12,14H,8-11,13H2,1-3H3