N-cyclopropyl-N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]thiophene-2-carboxamide

Systemtic Name: N-cyclopropyl-N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]thiophene-2-carboxamide Openeye Name: N-cyclopropyl-N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]thiophene-2-carboxamide CAS Name: N-cyclopropyl-N-[[2-(dimethylamino)-5-[(3-methyl-1-oxobutyl)amino]phenyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-cyclopropyl-N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]thiophene-2-carboxamide Traditional Name: N-cyclopropyl-N-[2-(dimethylamino)-5-(isovalerylamino)benzyl]thiophene-2-carboxamide Formula: C22H29N3O2S MolecularWeight: 399.54956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC(=C(C=C1)N(C)C)CN(C2CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=C(C=C1)N(C)C)CN(C2CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C22H29N3O2S/c1-15(2)12-21(26)23-17-7-10-19(24(3)4)16(13-17)14-25(18-8-9-18)22(27)20-6-5-11-28-20/h5-7,10-11,13,15,18H,8-9,12,14H2,1-4H3,(H,23,26)