N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]carbonylphenyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]carbonylphenyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-[4-(3-methylbutanoyl)piperazine-1-carbonyl]phenyl]-2-(1-methylimidazol-2-yl)sulfanyl-acetamide CAS Name: 2-[(1-methyl-2-imidazolyl)thio]-N-[4-[[4-(3-methyl-1-oxobutyl)-1-piperazinyl]-oxomethyl]phenyl]acetamide IUPAC Name: N-[4-[4-(3-methylbutanoyl)piperazine-1-carbonyl]phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide Traditional Name: N-[4-(4-isovalerylpiperazine-1-carbonyl)phenyl]-2-[(1-methylimidazol-2-yl)thio]acetamide Formula: C22H29N5O3S MolecularWeight: 443.56236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CN3C

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CN3C

InChI

InChI=1S/C22H29N5O3S/c1-16(2)14-20(29)26-10-12-27(13-11-26)21(30)17-4-6-18(7-5-17)24-19(28)15-31-22-23-8-9-25(22)3/h4-9,16H,10-15H2,1-3H3,(H,24,28)