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

Systemtic Name: 2-[[4-(4-bromophenyl)thiophen-3-yl]amino]-N-(cyanomethyl)-4-methyl-pentanamide Openeye Name: 2-[[4-(4-bromophenyl)-3-thienyl]amino]-N-(cyanomethyl)-4-methyl-pentanamide CAS Name: 2-[[4-(4-bromophenyl)-3-thiophenyl]amino]-N-(cyanomethyl)-4-methylpentanamide IUPAC Name: 2-[[4-(4-bromophenyl)thiophen-3-yl]amino]-N-(cyanomethyl)-4-methylpentanamide Traditional Name: 2-[[4-(4-bromophenyl)-3-thienyl]amino]-N-(cyanomethyl)-4-methyl-valeramide Formula: C18H20BrN3OS MolecularWeight: 406.3399

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN3OS/c1-12(2)9-16(18(23)21-8-7-20)22-17-11-24-10-15(17)13-3-5-14(19)6-4-13/h3-6,10-12,16,22H,8-9H2,1-2H3,(H,21,23)