N-(cyanomethyl)-2-[[4-(3-ethoxyphenyl)thiophen-3-yl]amino]-4-methyl-pentanamide

Systemtic Name: N-(cyanomethyl)-2-[[4-(3-ethoxyphenyl)thiophen-3-yl]amino]-4-methyl-pentanamide Openeye Name: N-(cyanomethyl)-2-[[4-(3-ethoxyphenyl)-3-thienyl]amino]-4-methyl-pentanamide CAS Name: N-(cyanomethyl)-2-[[4-(3-ethoxyphenyl)-3-thiophenyl]amino]-4-methylpentanamide IUPAC Name: N-(cyanomethyl)-2-[[4-(3-ethoxyphenyl)thiophen-3-yl]amino]-4-methylpentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[(4-m-phenetyl-3-thienyl)amino]valeramide Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=CSC=C2NC(CC(C)C)C(=O)NCC#N

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=CSC=C2NC(CC(C)C)C(=O)NCC#N

InChI

InChI=1S/C20H25N3O2S/c1-4-25-16-7-5-6-15(11-16)17-12-26-13-19(17)23-18(10-14(2)3)20(24)22-9-8-21/h5-7,11-14,18,23H,4,9-10H2,1-3H3,(H,22,24)