N-[(5-bromanyl-2-methoxy-phenyl)methyl]-5-(2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carboxamide

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-5-(2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carboxamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-5-(2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carboxamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-5-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-thiophenecarboxamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-5-(2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carboxamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-5-(2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carboxamide Formula: C21H19BrN2O3S MolecularWeight: 459.35616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CNC(=O)C2=CC=C(S2)N3CCOC4=CC=CC=C43

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CNC(=O)C2=CC=C(S2)N3CCOC4=CC=CC=C43

InChI

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