6-[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]carbonyl-4-methyl-pyran-2-one

Systemtic Name: 6-[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]carbonyl-4-methyl-pyran-2-one Openeye Name: 6-[4-[4-(3-bromophenyl)thiazol-2-yl]piperidine-1-carbonyl]-4-methyl-pyran-2-one CAS Name: 6-[[4-[4-(3-bromophenyl)-2-thiazolyl]-1-piperidinyl]-oxomethyl]-4-methyl-2-pyranone IUPAC Name: 6-[4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]-4-methylpyran-2-one Traditional Name: 6-[4-[4-(3-bromophenyl)thiazol-2-yl]piperidine-1-carbonyl]-4-methyl-pyran-2-one Formula: C21H19BrN2O3S MolecularWeight: 459.35616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC(=C1)C(=O)N2CCC(CC2)C3=NC(=CS3)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC(=O)OC(=C1)C(=O)N2CCC(CC2)C3=NC(=CS3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H19BrN2O3S/c1-13-9-18(27-19(25)10-13)21(26)24-7-5-14(6-8-24)20-23-17(12-28-20)15-3-2-4-16(22)11-15/h2-4,9-12,14H,5-8H2,1H3