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

Systemtic Name: 1-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-3-propyl-urea Openeye Name: 1-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-3-propyl-urea CAS Name: 1-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-3-propylurea IUPAC Name: 1-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-3-propylurea Traditional Name: 1-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-3-propyl-urea Formula: C17H20N2O5S2 MolecularWeight: 396.4811

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NCC(C1=CC2=C(C=C1)OCO2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCCNC(=O)NCC(C1=CC2=C(C=C1)OCO2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H20N2O5S2/c1-2-7-18-17(20)19-10-15(26(21,22)16-4-3-8-25-16)12-5-6-13-14(9-12)24-11-23-13/h3-6,8-9,15H,2,7,10-11H2,1H3,(H2,18,19,20)