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

Systemtic Name: N-[3-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethylamino]-3-oxidanylidene-propyl]thiophene-2-carboxamide Openeye Name: N-[3-[2-(2-bromo-4,5-dimethoxy-phenyl)ethylamino]-3-oxo-propyl]thiophene-2-carboxamide CAS Name: N-[3-[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]-3-oxopropyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]-3-oxopropyl]thiophene-2-carboxamide Traditional Name: N-[3-[2-(2-bromo-4,5-dimethoxy-phenyl)ethylamino]-3-keto-propyl]thiophene-2-carboxamide Formula: C18H21BrN2O4S MolecularWeight: 441.33934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)CCNC(=O)C2=CC=CS2)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)CCNC(=O)C2=CC=CS2)Br)OC

InChI

InChI=1S/C18H21BrN2O4S/c1-24-14-10-12(13(19)11-15(14)25-2)5-7-20-17(22)6-8-21-18(23)16-4-3-9-26-16/h3-4,9-11H,5-8H2,1-2H3,(H,20,22)(H,21,23)