1-[2-(diethylamino)-2-thiophen-3-yl-ethyl]-3-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-urea

Systemtic Name: 1-[2-(diethylamino)-2-thiophen-3-yl-ethyl]-3-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-urea Openeye Name: 1-[2-(diethylamino)-2-(3-thienyl)ethyl]-3-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-urea CAS Name: 1-[2-(diethylamino)-2-(3-thiophenyl)ethyl]-3-(5-spiro[1,3-benzodioxole-2,1'-cyclopentane]yl)urea IUPAC Name: 1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylurea Traditional Name: 1-[2-(diethylamino)-2-(3-thienyl)ethyl]-3-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-urea Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CNC(=O)NC1=CC2=C(C=C1)OC3(O2)CCCC3)C4=CSC=C4

Isomeric SMILES

CCN(CC)C(CNC(=O)NC1=CC2=C(C=C1)OC3(O2)CCCC3)C4=CSC=C4

InChI

InChI=1S/C22H29N3O3S/c1-3-25(4-2)18(16-9-12-29-15-16)14-23-21(26)24-17-7-8-19-20(13-17)28-22(27-19)10-5-6-11-22/h7-9,12-13,15,18H,3-6,10-11,14H2,1-2H3,(H2,23,24,26)