4-[4-[[2-[(3-chloranyl-2-methyl-phenyl)amino]pyridin-3-yl]methyl]piperazin-1-yl]carbonylthiolan-2-one

Systemtic Name: 4-[4-[[2-[(3-chloranyl-2-methyl-phenyl)amino]pyridin-3-yl]methyl]piperazin-1-yl]carbonylthiolan-2-one Openeye Name: 4-[4-[[2-(3-chloro-2-methyl-anilino)-3-pyridyl]methyl]piperazine-1-carbonyl]tetrahydrothiophen-2-one CAS Name: 4-[[4-[[2-(3-chloro-2-methylanilino)-3-pyridinyl]methyl]-1-piperazinyl]-oxomethyl]-2-thiolanone IUPAC Name: 4-[4-[[2-(3-chloro-2-methylanilino)pyridin-3-yl]methyl]piperazine-1-carbonyl]thiolan-2-one Traditional Name: 4-[4-[[2-(3-chloro-2-methyl-anilino)-3-pyridyl]methyl]piperazine-1-carbonyl]tetrahydrothiophen-2-one Formula: C22H25ClN4O2S MolecularWeight: 444.9775

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC2=C(C=CC=N2)CN3CCN(CC3)C(=O)C4CC(=O)SC4

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC2=C(C=CC=N2)CN3CCN(CC3)C(=O)C4CC(=O)SC4

InChI

InChI=1S/C22H25ClN4O2S/c1-15-18(23)5-2-6-19(15)25-21-16(4-3-7-24-21)13-26-8-10-27(11-9-26)22(29)17-12-20(28)30-14-17/h2-7,17H,8-14H2,1H3,(H,24,25)