(2S)-N-aminocarbonyl-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-3-methyl-butanamide

Systemtic Name: (2S)-N-aminocarbonyl-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-3-methyl-butanamide Openeye Name: (2S)-N-carbamoyl-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-3-methyl-butanamide CAS Name: (2S)-N-carbamoyl-2-[[1-(3,5-dimethylphenyl)-2-imidazolyl]thio]-3-methylbutanamide IUPAC Name: (2S)-N-carbamoyl-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-3-methylbutanamide Traditional Name: (2S)-N-carbamoyl-2-[[1-(3,5-dimethylphenyl)imidazol-2-yl]thio]-3-methyl-butyramide Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C=CN=C2SC(C(C)C)C(=O)NC(=O)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C=CN=C2S[C@@H](C(C)C)C(=O)NC(=O)N)C

InChI

InChI=1S/C17H22N4O2S/c1-10(2)14(15(22)20-16(18)23)24-17-19-5-6-21(17)13-8-11(3)7-12(4)9-13/h5-10,14H,1-4H3,(H3,18,20,22,23)/t14-/m0/s1