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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanamide Openeye Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-acetamide CAS Name: 2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylacetamide IUPAC Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylacetamide Traditional Name: 2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-acetamide Formula: C31H27N3O4S2 MolecularWeight: 569.69378

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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)OCCO5

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)OCCO5

InChI

InChI=1S/C31H27N3O4S2/c1-20(35)21-10-12-23(13-11-21)33-31(39)34-24-8-5-9-26(18-24)40-29(22-6-3-2-4-7-22)30(36)32-25-14-15-27-28(19-25)38-17-16-37-27/h2-15,18-19,29H,16-17H2,1H3,(H,32,36)(H2,33,34,39)