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

Systemtic Name: N-(cyanomethyl)-2-[[4-[4-(2-dimethylaminoethyl)phenyl]thiophen-3-yl]amino]-4-methyl-pentanamide Openeye Name: N-(cyanomethyl)-2-[[4-[4-(2-dimethylaminoethyl)phenyl]-3-thienyl]amino]-4-methyl-pentanamide CAS Name: N-(cyanomethyl)-2-[[4-[4-(2-dimethylaminoethyl)phenyl]-3-thiophenyl]amino]-4-methylpentanamide IUPAC Name: N-(cyanomethyl)-2-[[4-[4-(2-dimethylaminoethyl)phenyl]thiophen-3-yl]amino]-4-methylpentanamide Traditional Name: N-(cyanomethyl)-2-[[4-[4-(2-dimethylaminoethyl)phenyl]-3-thienyl]amino]-4-methyl-valeramide Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4OS/c1-16(2)13-20(22(27)24-11-10-23)25-21-15-28-14-19(21)18-7-5-17(6-8-18)9-12-26(3)4/h5-8,14-16,20,25H,9,11-13H2,1-4H3,(H,24,27)