2-(3,3-dimethylbutanoylamino)-3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide

Systemtic Name: 2-(3,3-dimethylbutanoylamino)-3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide Openeye Name: 2-(3,3-dimethylbutanoylamino)-3-methyl-N-[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]pentanamide CAS Name: 2-[(3,3-dimethyl-1-oxobutyl)amino]-3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide IUPAC Name: 2-(3,3-dimethylbutanoylamino)-3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide Traditional Name: 2-(3,3-dimethylbutanoylamino)-3-methyl-N-[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]valeramide Formula: C21H30N4O2S MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC(=CC=C2)C)NC(=O)CC(C)(C)C

Isomeric SMILES

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC(=CC=C2)C)NC(=O)CC(C)(C)C

InChI

InChI=1S/C21H30N4O2S/c1-7-14(3)17(22-16(26)12-21(4,5)6)18(27)23-20-25-24-19(28-20)15-10-8-9-13(2)11-15/h8-11,14,17H,7,12H2,1-6H3,(H,22,26)(H,23,25,27)