N-(1,3-benzodioxol-5-yl)-2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-ethanamide Openeye Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide CAS Name: 2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(1,3-benzodioxol-5-yl)acetamide IUPAC Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(1,3-benzodioxol-5-yl)acetamide Traditional Name: 2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]-N-(1,3-benzodioxol-5-yl)acetamide Formula: C24H21N3O4S2 MolecularWeight: 479.57124

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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)OCO4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H21N3O4S2/c1-15(28)16-5-7-17(8-6-16)26-24(32)27-18-3-2-4-20(11-18)33-13-23(29)25-19-9-10-21-22(12-19)31-14-30-21/h2-12H,13-14H2,1H3,(H,25,29)(H2,26,27,32)