N-[4-[[1-imidazol-1-yl-4-(5-methylthiophen-2-yl)butan-2-yl]sulfanylmethyl]phenyl]ethanamide

Systemtic Name: N-[4-[[1-imidazol-1-yl-4-(5-methylthiophen-2-yl)butan-2-yl]sulfanylmethyl]phenyl]ethanamide Openeye Name: N-[4-[[1-(imidazol-1-ylmethyl)-3-(5-methyl-2-thienyl)propyl]sulfanylmethyl]phenyl]acetamide CAS Name: N-[4-[[[1-(1-imidazolyl)-4-(5-methyl-2-thiophenyl)butan-2-yl]thio]methyl]phenyl]acetamide IUPAC Name: N-[4-[[1-imidazol-1-yl-4-(5-methylthiophen-2-yl)butan-2-yl]sulfanylmethyl]phenyl]acetamide Traditional Name: N-[4-[[[1-(imidazol-1-ylmethyl)-3-(5-methyl-2-thienyl)propyl]thio]methyl]phenyl]acetamide Formula: C21H25N3OS2 MolecularWeight: 399.5727

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CCC(CN2C=CN=C2)SCC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=CC=C(S1)CCC(CN2C=CN=C2)SCC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C21H25N3OS2/c1-16-3-8-20(27-16)9-10-21(13-24-12-11-22-15-24)26-14-18-4-6-19(7-5-18)23-17(2)25/h3-8,11-12,15,21H,9-10,13-14H2,1-2H3,(H,23,25)