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

Systemtic Name: 5-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: 5-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: 5-methyl-N-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: 5-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[3-(isobutyrylamino)benzyl]-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C21H26N2O2S MolecularWeight: 370.50834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NCC3=CC(=CC=C3)NC(=O)C(C)C

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)NCC3=CC(=CC=C3)NC(=O)C(C)C

InChI

InChI=1S/C21H26N2O2S/c1-13(2)20(24)23-17-6-4-5-15(10-17)12-22-21(25)19-11-16-9-14(3)7-8-18(16)26-19/h4-6,10-11,13-14H,7-9,12H2,1-3H3,(H,22,25)(H,23,24)