2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-oxidanylideneazepan-3-yl)ethanamide

Systemtic Name: 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-oxidanylideneazepan-3-yl)ethanamide Openeye Name: 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-oxoazepan-3-yl)acetamide CAS Name: 2-[[1-(3,4-dimethylphenyl)-2-imidazolyl]thio]-N-(2-oxo-3-azepanyl)acetamide IUPAC Name: 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-oxoazepan-3-yl)acetamide Traditional Name: 2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]thio]-N-(2-ketoazepan-3-yl)acetamide Formula: C19H24N4O2S MolecularWeight: 372.48446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=CN=C2SCC(=O)NC3CCCCNC3=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=CN=C2SCC(=O)NC3CCCCNC3=O)C

InChI

InChI=1S/C19H24N4O2S/c1-13-6-7-15(11-14(13)2)23-10-9-21-19(23)26-12-17(24)22-16-5-3-4-8-20-18(16)25/h6-7,9-11,16H,3-5,8,12H2,1-2H3,(H,20,25)(H,22,24)