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

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[[4-(3,4,5-trimethoxyphenyl)thiophen-3-yl]amino]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[[4-(3,4,5-trimethoxyphenyl)-3-thienyl]amino]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[4-(3,4,5-trimethoxyphenyl)-3-thiophenyl]amino]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[[4-(3,4,5-trimethoxyphenyl)thiophen-3-yl]amino]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[4-(3,4,5-trimethoxyphenyl)-3-thienyl]amino]valeramide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC1=CSC=C1C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC1=CSC=C1C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C21H27N3O4S/c1-13(2)8-16(21(25)23-7-6-22)24-17-12-29-11-15(17)14-9-18(26-3)20(28-5)19(10-14)27-4/h9-13,16,24H,7-8H2,1-5H3,(H,23,25)