6-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

Systemtic Name: 6-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide Openeye Name: 6-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-2,3-dihydrobenzothiophene-2-carboxamide CAS Name: 6-methyl-N-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide IUPAC Name: 6-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide Traditional Name: N-[3-(isobutyrylamino)benzyl]-6-methyl-2,3-dihydrobenzothiophene-2-carboxamide Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(S2)C(=O)NCC3=CC(=CC=C3)NC(=O)C(C)C)C=C1

Isomeric SMILES

CC1=CC2=C(CC(S2)C(=O)NCC3=CC(=CC=C3)NC(=O)C(C)C)C=C1

InChI

InChI=1S/C21H24N2O2S/c1-13(2)20(24)23-17-6-4-5-15(10-17)12-22-21(25)19-11-16-8-7-14(3)9-18(16)26-19/h4-10,13,19H,11-12H2,1-3H3,(H,22,25)(H,23,24)