N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylbutanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]butyramide Formula: C25H25N3O3S2 MolecularWeight: 479.6143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O3S2/c1-2-23(24(29)26-19-11-12-21-22(16-19)31-14-13-30-21)33-20-10-6-9-18(15-20)28-25(32)27-17-7-4-3-5-8-17/h3-12,15-16,23H,2,13-14H2,1H3,(H,26,29)(H2,27,28,32)