N-(1,3-benzodioxol-5-yl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]-2-phenylacetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[3-[(2-methoxyphenyl)thiocarbamoylamino]phenyl]thio]-2-phenyl-acetamide Formula: C29H25N3O4S2 MolecularWeight: 543.6565

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC=C1NC(=S)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H25N3O4S2/c1-34-24-13-6-5-12-23(24)32-29(37)31-20-10-7-11-22(16-20)38-27(19-8-3-2-4-9-19)28(33)30-21-14-15-25-26(17-21)36-18-35-25/h2-17,27H,18H2,1H3,(H,30,33)(H2,31,32,37)