N-(cyanomethyl)-4-methyl-2-[[4-(3-phenyl-1,2-oxazol-5-yl)thiophen-3-yl]amino]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[[4-(3-phenyl-1,2-oxazol-5-yl)thiophen-3-yl]amino]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[[4-(3-phenylisoxazol-5-yl)-3-thienyl]amino]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[4-(3-phenyl-5-isoxazolyl)-3-thiophenyl]amino]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[[4-(3-phenyl-1,2-oxazol-5-yl)thiophen-3-yl]amino]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[4-(3-phenylisoxazol-5-yl)-3-thienyl]amino]valeramide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC1=CSC=C1C2=CC(=NO2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC1=CSC=C1C2=CC(=NO2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2S/c1-14(2)10-18(21(26)23-9-8-22)24-19-13-28-12-16(19)20-11-17(25-27-20)15-6-4-3-5-7-15/h3-7,11-14,18,24H,9-10H2,1-2H3,(H,23,26)