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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CSC3=C2CCCC3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CSC3=C2CCCC3

InChI

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