N-[3-[3-(3-bromanyl-4-methoxy-phenyl)propanoylamino]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[3-(3-bromanyl-4-methoxy-phenyl)propanoylamino]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[3-(3-bromo-4-methoxyphenyl)-1-oxopropyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[3-(3-bromo-4-methoxyphenyl)propanoylamino]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]phenyl]thiophene-2-carboxamide Formula: C21H19BrN2O3S MolecularWeight: 459.35616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=CS3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=CS3)Br

InChI

InChI=1S/C21H19BrN2O3S/c1-27-18-9-7-14(12-17(18)22)8-10-20(25)23-15-4-2-5-16(13-15)24-21(26)19-6-3-11-28-19/h2-7,9,11-13H,8,10H2,1H3,(H,23,25)(H,24,26)