N-butyl-2-[4-(2-methylsulfanyl-3-phenyl-imidazol-4-yl)carbonylpiperazin-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-(2-methylsulfanyl-3-phenyl-imidazol-4-yl)carbonylpiperazin-1-yl]ethanamide Openeye Name: N-butyl-2-[4-(2-methylsulfanyl-3-phenyl-imidazole-4-carbonyl)piperazin-1-yl]acetamide CAS Name: N-butyl-2-[4-[[2-(methylthio)-3-phenyl-4-imidazolyl]-oxomethyl]-1-piperazinyl]acetamide IUPAC Name: N-butyl-2-[4-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)piperazin-1-yl]acetamide Traditional Name: N-butyl-2-[4-[2-(methylthio)-3-phenyl-imidazole-4-carbonyl]piperazino]acetamide Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1CCN(CC1)C(=O)C2=CN=C(N2C3=CC=CC=C3)SC

Isomeric SMILES

CCCCNC(=O)CN1CCN(CC1)C(=O)C2=CN=C(N2C3=CC=CC=C3)SC

InChI

InChI=1S/C21H29N5O2S/c1-3-4-10-22-19(27)16-24-11-13-25(14-12-24)20(28)18-15-23-21(29-2)26(18)17-8-6-5-7-9-17/h5-9,15H,3-4,10-14,16H2,1-2H3,(H,22,27)