N-[1-(4-bromophenyl)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide

Systemtic Name: N-[1-(4-bromophenyl)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide Openeye Name: N-[1-(4-bromophenyl)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide CAS Name: N-[1-(4-bromophenyl)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophenecarboxamide IUPAC Name: N-[1-(4-bromophenyl)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide Traditional Name: N-[1-(4-bromophenyl)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide Formula: C21H18BrNO3S MolecularWeight: 444.34152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=O)C2=CC=C(S2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(C1=CC=C(C=C1)Br)NC(=O)C2=CC=C(S2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H18BrNO3S/c1-13(14-2-5-16(22)6-3-14)23-21(24)20-9-8-19(27-20)15-4-7-17-18(12-15)26-11-10-25-17/h2-9,12-13H,10-11H2,1H3,(H,23,24)