N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-ethanamide Openeye Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: 2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C25H23N3O4S2 MolecularWeight: 493.59782

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SCC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SCC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C25H23N3O4S2/c1-16(29)17-5-7-18(8-6-17)27-25(33)28-19-3-2-4-21(13-19)34-15-24(30)26-20-9-10-22-23(14-20)32-12-11-31-22/h2-10,13-14H,11-12,15H2,1H3,(H,26,30)(H2,27,28,33)