N-[3-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-butan-2-yl]sulfanylphenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-butan-2-yl]sulfanylphenyl]thiophene-2-carboxamide Openeye Name: N-[3-[1-(1,3-benzodioxol-5-ylcarbamoyl)propylsulfanyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[1-(1,3-benzodioxol-5-ylamino)-1-oxobutan-2-yl]thio]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[1-(1,3-benzodioxol-5-ylamino)-1-oxobutan-2-yl]sulfanylphenyl]thiophene-2-carboxamide Traditional Name: N-[3-[1-(1,3-benzodioxol-5-ylcarbamoyl)propylthio]phenyl]thiophene-2-carboxamide Formula: C22H20N2O4S2 MolecularWeight: 440.5352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=CC=CC(=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=CC=CC(=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C22H20N2O4S2/c1-2-19(21(25)24-15-8-9-17-18(12-15)28-13-27-17)30-16-6-3-5-14(11-16)23-22(26)20-7-4-10-29-20/h3-12,19H,2,13H2,1H3,(H,23,26)(H,24,25)