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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NC3=CC(=CC=C3)NC(=O)C(C)C

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)NC3=CC(=CC=C3)NC(=O)C(C)C

InChI

InChI=1S/C20H24N2O2S/c1-12(2)19(23)21-15-5-4-6-16(11-15)22-20(24)18-10-14-9-13(3)7-8-17(14)25-18/h4-6,10-13H,7-9H2,1-3H3,(H,21,23)(H,22,24)