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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[3-[(2-methoxyphenyl)thiocarbamoylamino]phenyl]thio]acetamide Formula: C23H21N3O4S2 MolecularWeight: 467.56054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)NC2=CC(=CC=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC=C1NC(=S)NC2=CC(=CC=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H21N3O4S2/c1-28-19-8-3-2-7-18(19)26-23(31)25-15-5-4-6-17(11-15)32-13-22(27)24-16-9-10-20-21(12-16)30-14-29-20/h2-12H,13-14H2,1H3,(H,24,27)(H2,25,26,31)