N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-5-bromanyl-thiophene-2-carboxamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-5-bromanyl-thiophene-2-carboxamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thienyl]-5-bromo-thiophene-2-carboxamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thiophenyl]-5-bromo-2-thiophenecarboxamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-5-bromothiophene-2-carboxamide Traditional Name: 5-bromo-N-(3-cyano-4-methyl-5-piperonyl-2-thienyl)thiophene-2-carboxamide Formula: C19H13BrN2O3S2 MolecularWeight: 461.35212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(S2)Br)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(S2)Br)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H13BrN2O3S2/c1-10-12(8-21)19(22-18(23)15-4-5-17(20)26-15)27-16(10)7-11-2-3-13-14(6-11)25-9-24-13/h2-6H,7,9H2,1H3,(H,22,23)