4-[2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylpropanoylamino]benzamide

Systemtic Name: 4-[2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylpropanoylamino]benzamide Openeye Name: 4-[2-[4,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)imidazol-2-yl]sulfanylpropanoylamino]benzamide CAS Name: 4-[[2-[[4,5-dimethyl-1-(2-oxolanylmethyl)-2-imidazolyl]thio]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylpropanoylamino]benzamide Traditional Name: 4-[2-[[4,5-dimethyl-1-(tetrahydrofurfuryl)imidazol-2-yl]thio]propanoylamino]benzamide Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SC(C)C(=O)NC2=CC=C(C=C2)C(=O)N)CC3CCCO3)C

Isomeric SMILES

CC1=C(N(C(=N1)SC(C)C(=O)NC2=CC=C(C=C2)C(=O)N)CC3CCCO3)C

InChI

InChI=1S/C20H26N4O3S/c1-12-13(2)24(11-17-5-4-10-27-17)20(22-12)28-14(3)19(26)23-16-8-6-15(7-9-16)18(21)25/h6-9,14,17H,4-5,10-11H2,1-3H3,(H2,21,25)(H,23,26)