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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]butanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylbutanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-[(2-methoxyphenyl)thiocarbamoylamino]phenyl]thio]butyramide Formula: C26H27N3O4S2 MolecularWeight: 509.64028

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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=CC=C4OC

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4OC

InChI

InChI=1S/C26H27N3O4S2/c1-3-24(25(30)27-18-11-12-22-23(16-18)33-14-13-32-22)35-19-8-6-7-17(15-19)28-26(34)29-20-9-4-5-10-21(20)31-2/h4-12,15-16,24H,3,13-14H2,1-2H3,(H,27,30)(H2,28,29,34)