N-[3-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[2-(2-bromo-4,5-dimethoxy-phenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[2-(2-bromo-4,5-dimethoxyphenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[2-(2-bromo-4,5-dimethoxy-phenyl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide Formula: C22H21BrN2O4S MolecularWeight: 489.38214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3)Br)OC

InChI

InChI=1S/C22H21BrN2O4S/c1-28-18-12-14(17(23)13-19(18)29-2)8-9-24-21(26)15-5-3-6-16(11-15)25-22(27)20-7-4-10-30-20/h3-7,10-13H,8-9H2,1-2H3,(H,24,26)(H,25,27)