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

Systemtic Name: N-(cyanomethyl)-2-[[4-[3-(dimethylaminomethyl)phenyl]thiophen-3-yl]amino]-4-methyl-pentanamide Openeye Name: N-(cyanomethyl)-2-[[4-[3-(dimethylaminomethyl)phenyl]-3-thienyl]amino]-4-methyl-pentanamide CAS Name: N-(cyanomethyl)-2-[[4-[3-(dimethylaminomethyl)phenyl]-3-thiophenyl]amino]-4-methylpentanamide IUPAC Name: N-(cyanomethyl)-2-[[4-[3-(dimethylaminomethyl)phenyl]thiophen-3-yl]amino]-4-methylpentanamide Traditional Name: N-(cyanomethyl)-2-[[4-[3-(dimethylaminomethyl)phenyl]-3-thienyl]amino]-4-methyl-valeramide Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4OS/c1-15(2)10-19(21(26)23-9-8-22)24-20-14-27-13-18(20)17-7-5-6-16(11-17)12-25(3)4/h5-7,11,13-15,19,24H,9-10,12H2,1-4H3,(H,23,26)