N-[4-(4-cyclopropylcarbonylpiperazin-1-yl)carbonylphenyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-(4-cyclopropylcarbonylpiperazin-1-yl)carbonylphenyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]-2-(1-methylimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[4-[[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-oxomethyl]phenyl]-2-[(1-methyl-2-imidazolyl)thio]acetamide IUPAC Name: N-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide Traditional Name: N-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]-2-[(1-methylimidazol-2-yl)thio]acetamide Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C21H25N5O3S/c1-24-9-8-22-21(24)30-14-18(27)23-17-6-4-16(5-7-17)20(29)26-12-10-25(11-13-26)19(28)15-2-3-15/h4-9,15H,2-3,10-14H2,1H3,(H,23,27)