N-(4-bromophenyl)-6-methyl-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-(4-bromophenyl)-6-methyl-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(4-bromophenyl)-6-methyl-2-(propanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(4-bromophenyl)-6-methyl-2-(1-oxopropylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(4-bromophenyl)-6-methyl-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(4-bromophenyl)-6-methyl-2-propionamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C19H21BrN2O2S MolecularWeight: 421.35124

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C2=C(S1)CC(CC2)C)C(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CCC(=O)NC1=C(C2=C(S1)CC(CC2)C)C(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H21BrN2O2S/c1-3-16(23)22-19-17(14-9-4-11(2)10-15(14)25-19)18(24)21-13-7-5-12(20)6-8-13/h5-8,11H,3-4,9-10H2,1-2H3,(H,21,24)(H,22,23)