2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(4-pyrrolidin-1-ylphenyl)ethanamide

Systemtic Name: 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(4-pyrrolidin-1-ylphenyl)ethanamide Openeye Name: 2-[4,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(4-pyrrolidin-1-ylphenyl)acetamide CAS Name: 2-[[4,5-dimethyl-1-(2-oxolanylmethyl)-2-imidazolyl]thio]-N-[4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[[4,5-dimethyl-1-(tetrahydrofurfuryl)imidazol-2-yl]thio]-N-(4-pyrrolidinophenyl)acetamide Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC(=O)NC2=CC=C(C=C2)N3CCCC3)CC4CCCO4)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC(=O)NC2=CC=C(C=C2)N3CCCC3)CC4CCCO4)C

InChI

InChI=1S/C22H30N4O2S/c1-16-17(2)26(14-20-6-5-13-28-20)22(23-16)29-15-21(27)24-18-7-9-19(10-8-18)25-11-3-4-12-25/h7-10,20H,3-6,11-15H2,1-2H3,(H,24,27)