(2S)-N-(tert-butylcarbamoyl)-2-[1-(3-chloranyl-2-methyl-phenyl)imidazol-2-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-(tert-butylcarbamoyl)-2-[1-(3-chloranyl-2-methyl-phenyl)imidazol-2-yl]sulfanyl-propanamide Openeye Name: (2S)-N-(tert-butylcarbamoyl)-2-[1-(3-chloro-2-methyl-phenyl)imidazol-2-yl]sulfanyl-propanamide CAS Name: (2S)-N-[(tert-butylamino)-oxomethyl]-2-[[1-(3-chloro-2-methylphenyl)-2-imidazolyl]thio]propanamide IUPAC Name: (2S)-N-(tert-butylcarbamoyl)-2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylpropanamide Traditional Name: (2S)-N-(tert-butylcarbamoyl)-2-[[1-(3-chloro-2-methyl-phenyl)imidazol-2-yl]thio]propionamide Formula: C18H23ClN4O2S MolecularWeight: 394.91882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C=CN=C2SC(C)C(=O)NC(=O)NC(C)(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C=CN=C2S[C@@H](C)C(=O)NC(=O)NC(C)(C)C

InChI

InChI=1S/C18H23ClN4O2S/c1-11-13(19)7-6-8-14(11)23-10-9-20-17(23)26-12(2)15(24)21-16(25)22-18(3,4)5/h6-10,12H,1-5H3,(H2,21,22,24,25)/t12-/m0/s1