N-[4-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylethanoyl]phenyl]butanamide

Systemtic Name: N-[4-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylethanoyl]phenyl]butanamide Openeye Name: N-[4-[2-(1-isobutyl-4,5-dimethyl-imidazol-2-yl)sulfanylacetyl]phenyl]butanamide CAS Name: N-[4-[2-[[4,5-dimethyl-1-(2-methylpropyl)-2-imidazolyl]thio]-1-oxoethyl]phenyl]butanamide IUPAC Name: N-[4-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetyl]phenyl]butanamide Traditional Name: N-[4-[2-[(1-isobutyl-4,5-dimethyl-imidazol-2-yl)thio]acetyl]phenyl]butyramide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC(=C(N2CC(C)C)C)C

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC(=C(N2CC(C)C)C)C

InChI

InChI=1S/C21H29N3O2S/c1-6-7-20(26)23-18-10-8-17(9-11-18)19(25)13-27-21-22-15(4)16(5)24(21)12-14(2)3/h8-11,14H,6-7,12-13H2,1-5H3,(H,23,26)