(2S)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(phenylmethyl)propanamide

Systemtic Name: (2S)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(phenylmethyl)propanamide Openeye Name: (2S)-N-benzyl-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-propanamide CAS Name: (2S)-2-[[1-(2,4-dimethylphenyl)-2-imidazolyl]thio]-N-(phenylmethyl)propanamide IUPAC Name: (2S)-N-benzyl-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide Traditional Name: (2S)-N-benzyl-2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]thio]propionamide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=CN=C2SC(C)C(=O)NCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CN=C2S[C@@H](C)C(=O)NCC3=CC=CC=C3)C

InChI

InChI=1S/C21H23N3OS/c1-15-9-10-19(16(2)13-15)24-12-11-22-21(24)26-17(3)20(25)23-14-18-7-5-4-6-8-18/h4-13,17H,14H2,1-3H3,(H,23,25)/t17-/m0/s1