1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-(4-ethoxyphenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-(4-ethoxyphenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-(4-ethoxyphenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-(4-ethoxyphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-(4-ethoxyphenyl)thiourea Traditional Name: 1-cyclopentyl-1-piperonyl-3-p-phenetyl-thiourea Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)C4CCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)C4CCCC4

InChI

InChI=1S/C22H26N2O3S/c1-2-25-19-10-8-17(9-11-19)23-22(28)24(18-5-3-4-6-18)14-16-7-12-20-21(13-16)27-15-26-20/h7-13,18H,2-6,14-15H2,1H3,(H,23,28)