N-(cyanomethyl)-2-[[4-[4-(imidazol-1-ylmethyl)phenyl]thiophen-3-yl]amino]-4-methyl-pentanamide

Systemtic Name: N-(cyanomethyl)-2-[[4-[4-(imidazol-1-ylmethyl)phenyl]thiophen-3-yl]amino]-4-methyl-pentanamide Openeye Name: N-(cyanomethyl)-2-[[4-[4-(imidazol-1-ylmethyl)phenyl]-3-thienyl]amino]-4-methyl-pentanamide CAS Name: N-(cyanomethyl)-2-[[4-[4-(1-imidazolylmethyl)phenyl]-3-thiophenyl]amino]-4-methylpentanamide IUPAC Name: N-(cyanomethyl)-2-[[4-[4-(imidazol-1-ylmethyl)phenyl]thiophen-3-yl]amino]-4-methylpentanamide Traditional Name: N-(cyanomethyl)-2-[[4-[4-(imidazol-1-ylmethyl)phenyl]-3-thienyl]amino]-4-methyl-valeramide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC1=CSC=C1C2=CC=C(C=C2)CN3C=CN=C3

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC1=CSC=C1C2=CC=C(C=C2)CN3C=CN=C3

InChI

InChI=1S/C22H25N5OS/c1-16(2)11-20(22(28)25-8-7-23)26-21-14-29-13-19(21)18-5-3-17(4-6-18)12-27-10-9-24-15-27/h3-6,9-10,13-16,20,26H,8,11-12H2,1-2H3,(H,25,28)