5-(4-bromophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]thiophene-2-carboxamide

Systemtic Name: 5-(4-bromophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]thiophene-2-carboxamide Openeye Name: 5-(4-bromophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]thiophene-2-carboxamide CAS Name: 5-(4-bromophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]-2-thiophenecarboxamide IUPAC Name: 5-(4-bromophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]thiophene-2-carboxamide Traditional Name: 5-(4-bromophenyl)-N-(2,3,4-trimethoxybenzyl)thiophene-2-carboxamide Formula: C21H20BrNO4S MolecularWeight: 462.3568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CNC(=O)C2=CC=C(S2)C3=CC=C(C=C3)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CNC(=O)C2=CC=C(S2)C3=CC=C(C=C3)Br)OC)OC

InChI

InChI=1S/C21H20BrNO4S/c1-25-16-9-6-14(19(26-2)20(16)27-3)12-23-21(24)18-11-10-17(28-18)13-4-7-15(22)8-5-13/h4-11H,12H2,1-3H3,(H,23,24)