N-[3-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[3-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[3-[1-(1,3-benzodioxol-5-ylcarbamoyl)propylsulfanyl]phenyl]-3,4-dimethoxy-benzamide CAS Name: N-[3-[[1-(1,3-benzodioxol-5-ylamino)-1-oxobutan-2-yl]thio]phenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[3-[1-(1,3-benzodioxol-5-ylamino)-1-oxobutan-2-yl]sulfanylphenyl]-3,4-dimethoxybenzamide Traditional Name: N-[3-[1-(1,3-benzodioxol-5-ylcarbamoyl)propylthio]phenyl]-3,4-dimethoxy-benzamide Formula: C26H26N2O6S MolecularWeight: 494.55944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O6S/c1-4-24(26(30)28-18-9-11-21-23(14-18)34-15-33-21)35-19-7-5-6-17(13-19)27-25(29)16-8-10-20(31-2)22(12-16)32-3/h5-14,24H,4,15H2,1-3H3,(H,27,29)(H,28,30)