1-(1,3-benzodioxol-5-yl)-3-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]urea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]urea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]urea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]urea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]urea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(2-thienyl)-2-tosyl-ethyl]urea Formula: C21H20N2O5S2 MolecularWeight: 444.5239

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=CS4

InChI

InChI=1S/C21H20N2O5S2/c1-14-4-7-16(8-5-14)30(25,26)20(19-3-2-10-29-19)12-22-21(24)23-15-6-9-17-18(11-15)28-13-27-17/h2-11,20H,12-13H2,1H3,(H2,22,23,24)