1,3-bis(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-thiourea

Systemtic Name: 1,3-bis(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-thiourea Openeye Name: 1,3-bis(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-thiourea CAS Name: 1,3-bis(1,3-benzodioxol-5-ylmethyl)-1-cyclopentylthiourea IUPAC Name: 1,3-bis(1,3-benzodioxol-5-ylmethyl)-1-cyclopentylthiourea Traditional Name: 1-cyclopentyl-1,3-dipiperonyl-thiourea Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC2=CC3=C(C=C2)OCO3)C(=S)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(C1)N(CC2=CC3=C(C=C2)OCO3)C(=S)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H24N2O4S/c29-22(23-11-15-5-7-18-20(9-15)27-13-25-18)24(17-3-1-2-4-17)12-16-6-8-19-21(10-16)28-14-26-19/h5-10,17H,1-4,11-14H2,(H,23,29)