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

Systemtic Name: N-(cyanomethyl)-2-[[4-(2,5-dimethoxyphenyl)thiophen-3-yl]amino]-4-methyl-pentanamide Openeye Name: N-(cyanomethyl)-2-[[4-(2,5-dimethoxyphenyl)-3-thienyl]amino]-4-methyl-pentanamide CAS Name: N-(cyanomethyl)-2-[[4-(2,5-dimethoxyphenyl)-3-thiophenyl]amino]-4-methylpentanamide IUPAC Name: N-(cyanomethyl)-2-[[4-(2,5-dimethoxyphenyl)thiophen-3-yl]amino]-4-methylpentanamide Traditional Name: N-(cyanomethyl)-2-[[4-(2,5-dimethoxyphenyl)-3-thienyl]amino]-4-methyl-valeramide Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S/c1-13(2)9-17(20(24)22-8-7-21)23-18-12-27-11-16(18)15-10-14(25-3)5-6-19(15)26-4/h5-6,10-13,17,23H,8-9H2,1-4H3,(H,22,24)