(2S)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methoxyphenyl)propanamide

Systemtic Name: (2S)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methoxyphenyl)propanamide Openeye Name: (2S)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methoxyphenyl)propanamide CAS Name: (2S)-2-[[1-(3,4-dimethylphenyl)-2-imidazolyl]thio]-N-(3-methoxyphenyl)propanamide IUPAC Name: (2S)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methoxyphenyl)propanamide Traditional Name: (2S)-2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]thio]-N-(3-methoxyphenyl)propionamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=CN=C2SC(C)C(=O)NC3=CC(=CC=C3)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=CN=C2S[C@@H](C)C(=O)NC3=CC(=CC=C3)OC)C

InChI

InChI=1S/C21H23N3O2S/c1-14-8-9-18(12-15(14)2)24-11-10-22-21(24)27-16(3)20(25)23-17-6-5-7-19(13-17)26-4/h5-13,16H,1-4H3,(H,23,25)/t16-/m0/s1