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

Systemtic Name: N-(cyanomethyl)-2-[[4-(2,4-dichlorophenyl)thiophen-3-yl]amino]-4-methyl-pentanamide Openeye Name: N-(cyanomethyl)-2-[[4-(2,4-dichlorophenyl)-3-thienyl]amino]-4-methyl-pentanamide CAS Name: N-(cyanomethyl)-2-[[4-(2,4-dichlorophenyl)-3-thiophenyl]amino]-4-methylpentanamide IUPAC Name: N-(cyanomethyl)-2-[[4-(2,4-dichlorophenyl)thiophen-3-yl]amino]-4-methylpentanamide Traditional Name: N-(cyanomethyl)-2-[[4-(2,4-dichlorophenyl)-3-thienyl]amino]-4-methyl-valeramide Formula: C18H19Cl2N3OS MolecularWeight: 396.33396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19Cl2N3OS/c1-11(2)7-16(18(24)22-6-5-21)23-17-10-25-9-14(17)13-4-3-12(19)8-15(13)20/h3-4,8-11,16,23H,6-7H2,1-2H3,(H,22,24)