N-(1,3-benzodioxol-5-yl)-2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(1-cyclohexyl-4,5-dimethyl-2-imidazolyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)thio]propionamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SC(C)C(=O)NC2=CC3=C(C=C2)OCO3)C4CCCCC4)C

Isomeric SMILES

CC1=C(N(C(=N1)SC(C)C(=O)NC2=CC3=C(C=C2)OCO3)C4CCCCC4)C

InChI

InChI=1S/C21H27N3O3S/c1-13-14(2)24(17-7-5-4-6-8-17)21(22-13)28-15(3)20(25)23-16-9-10-18-19(11-16)27-12-26-18/h9-11,15,17H,4-8,12H2,1-3H3,(H,23,25)