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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanamide Openeye Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(1,3-benzodioxol-5-yl)-2-phenyl-acetamide CAS Name: 2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(1,3-benzodioxol-5-yl)-2-phenylacetamide IUPAC Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(1,3-benzodioxol-5-yl)-2-phenylacetamide Traditional Name: 2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]-N-(1,3-benzodioxol-5-yl)-2-phenyl-acetamide Formula: C30H25N3O4S2 MolecularWeight: 555.6672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C30H25N3O4S2/c1-19(34)20-10-12-22(13-11-20)32-30(38)33-23-8-5-9-25(16-23)39-28(21-6-3-2-4-7-21)29(35)31-24-14-15-26-27(17-24)37-18-36-26/h2-17,28H,18H2,1H3,(H,31,35)(H2,32,33,38)