N-[5-[[3-(4-ethanoylpiperazin-1-yl)carbonyl-4,5-dimethyl-phenyl]methylsulfanyl]-1,3-thiazol-2-yl]-1,2,3,6-tetrahydropyridine-4-carboxamide

Systemtic Name: N-[5-[[3-(4-ethanoylpiperazin-1-yl)carbonyl-4,5-dimethyl-phenyl]methylsulfanyl]-1,3-thiazol-2-yl]-1,2,3,6-tetrahydropyridine-4-carboxamide Openeye Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)-4,5-dimethyl-phenyl]methylsulfanyl]thiazol-2-yl]-1,2,3,6-tetrahydropyridine-4-carboxamide CAS Name: N-[5-[[3-[(4-acetyl-1-piperazinyl)-oxomethyl]-4,5-dimethylphenyl]methylthio]-2-thiazolyl]-1,2,3,6-tetrahydropyridine-4-carboxamide IUPAC Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)-4,5-dimethylphenyl]methylsulfanyl]-1,3-thiazol-2-yl]-1,2,3,6-tetrahydropyridine-4-carboxamide Traditional Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)-4,5-dimethyl-benzyl]thio]thiazol-2-yl]-1,2,3,6-tetrahydropyridine-4-carboxamide Formula: C25H31N5O3S2 MolecularWeight: 513.67534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CSC2=CN=C(S2)NC(=O)C3=CCNCC3)C(=O)N4CCN(CC4)C(=O)C)C

Isomeric SMILES

CC1=C(C(=CC(=C1)CSC2=CN=C(S2)NC(=O)C3=CCNCC3)C(=O)N4CCN(CC4)C(=O)C)C

InChI

InChI=1S/C25H31N5O3S2/c1-16-12-19(13-21(17(16)2)24(33)30-10-8-29(9-11-30)18(3)31)15-34-22-14-27-25(35-22)28-23(32)20-4-6-26-7-5-20/h4,12-14,26H,5-11,15H2,1-3H3,(H,27,28,32)