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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-butanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]butanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylbutanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]butyramide Formula: C26H27N3O3S2 MolecularWeight: 493.64088

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=CC=CC(=C3)NC(=S)NC4=CC=C(C=C4)C

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=CC=CC(=C3)NC(=S)NC4=CC=C(C=C4)C

InChI

InChI=1S/C26H27N3O3S2/c1-3-24(25(30)27-20-11-12-22-23(16-20)32-14-13-31-22)34-21-6-4-5-19(15-21)29-26(33)28-18-9-7-17(2)8-10-18/h4-12,15-16,24H,3,13-14H2,1-2H3,(H,27,30)(H2,28,29,33)