4-(3-chloranylpyridin-2-yl)-2-methylsulfanyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-(3-chloranylpyridin-2-yl)-2-methylsulfanyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide Openeye Name: 4-(3-chloro-2-pyridyl)-N-(4-isopropylphenyl)-2-methylsulfanyl-piperazine-1-carboxamide CAS Name: 4-(3-chloro-2-pyridinyl)-2-(methylthio)-N-(4-propan-2-ylphenyl)-1-piperazinecarboxamide IUPAC Name: 4-(3-chloropyridin-2-yl)-2-methylsulfanyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide Traditional Name: 4-(3-chloro-2-pyridyl)-2-(methylthio)-N-p-cumenyl-piperazine-1-carboxamide Formula: C20H25ClN4OS MolecularWeight: 404.9567

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)N2CCN(CC2SC)C3=C(C=CC=N3)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)N2CCN(CC2SC)C3=C(C=CC=N3)Cl

InChI

InChI=1S/C20H25ClN4OS/c1-14(2)15-6-8-16(9-7-15)23-20(26)25-12-11-24(13-18(25)27-3)19-17(21)5-4-10-22-19/h4-10,14,18H,11-13H2,1-3H3,(H,23,26)