[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridin-3-yl]-(4-thiophen-2-ylcarbonylpiperazin-1-yl)methanone

Systemtic Name: [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridin-3-yl]-(4-thiophen-2-ylcarbonylpiperazin-1-yl)methanone Openeye Name: [2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-3-pyridyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone CAS Name: [2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-3-pyridinyl]-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]methanone IUPAC Name: [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridin-3-yl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone Traditional Name: [2-[(3,5-dimethylisoxazol-4-yl)methylthio]-3-pyridyl]-[4-(2-thenoyl)piperazino]methanone Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H22N4O3S2/c1-14-17(15(2)28-23-14)13-30-19-16(5-3-7-22-19)20(26)24-8-10-25(11-9-24)21(27)18-6-4-12-29-18/h3-7,12H,8-11,13H2,1-2H3