N-[4-(3-methylbutanoylamino)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-(3-methylbutanoylamino)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[4-(3-methylbutanoylamino)phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-(3-methylbutanoylamino)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[4-(isovalerylamino)phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C20H24N2O2S MolecularWeight: 356.48176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C20H24N2O2S/c1-13(2)11-19(23)21-15-7-9-16(10-8-15)22-20(24)18-12-14-5-3-4-6-17(14)25-18/h7-10,12-13H,3-6,11H2,1-2H3,(H,21,23)(H,22,24)