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

Systemtic Name: N-[4-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethylamino]-4-oxidanylidene-butyl]thiophene-3-carboxamide Openeye Name: N-[4-[2-(2-bromo-4,5-dimethoxy-phenyl)ethylamino]-4-oxo-butyl]thiophene-3-carboxamide CAS Name: N-[4-[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]-4-oxobutyl]-3-thiophenecarboxamide IUPAC Name: N-[4-[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]-4-oxobutyl]thiophene-3-carboxamide Traditional Name: N-[4-[2-(2-bromo-4,5-dimethoxy-phenyl)ethylamino]-4-keto-butyl]thiophene-3-carboxamide Formula: C19H23BrN2O4S MolecularWeight: 455.36592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)CCCNC(=O)C2=CSC=C2)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)CCCNC(=O)C2=CSC=C2)Br)OC

InChI

InChI=1S/C19H23BrN2O4S/c1-25-16-10-13(15(20)11-17(16)26-2)5-8-21-18(23)4-3-7-22-19(24)14-6-9-27-12-14/h6,9-12H,3-5,7-8H2,1-2H3,(H,21,23)(H,22,24)