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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O2S/c1-13(2)19(23)22-16-8-5-6-14(10-16)12-21-20(24)18-11-15-7-3-4-9-17(15)25-18/h5-6,8,10-11,13H,3-4,7,9,12H2,1-2H3,(H,21,24)(H,22,23)