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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-2-phenylacetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-2-phenylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]acetamide Formula: C30H27N3O3S2 MolecularWeight: 541.68368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C30H27N3O3S2/c1-20-10-12-22(13-11-20)32-30(37)33-23-8-5-9-25(18-23)38-28(21-6-3-2-4-7-21)29(34)31-24-14-15-26-27(19-24)36-17-16-35-26/h2-15,18-19,28H,16-17H2,1H3,(H,31,34)(H2,32,33,37)