1-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-3-phenyl-urea

Systemtic Name: 1-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-3-phenyl-urea Openeye Name: 1-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-3-phenyl-urea CAS Name: 1-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-3-phenylurea IUPAC Name: 1-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-3-phenylurea Traditional Name: 1-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-3-phenyl-urea Formula: C20H18N2O5S2 MolecularWeight: 430.49732

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CNC(=O)NC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CNC(=O)NC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H18N2O5S2/c23-20(22-15-5-2-1-3-6-15)21-12-18(29(24,25)19-7-4-10-28-19)14-8-9-16-17(11-14)27-13-26-16/h1-11,18H,12-13H2,(H2,21,22,23)