1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-chlorophenyl)sulfanylethyl]-1-cyclopentyl-thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-chlorophenyl)sulfanylethyl]-1-cyclopentyl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-chlorophenyl)sulfanylethyl]-1-cyclopentyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[(4-chlorophenyl)thio]ethyl]-1-cyclopentylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-chlorophenyl)sulfanylethyl]-1-cyclopentylthiourea Traditional Name: 3-[2-[(4-chlorophenyl)thio]ethyl]-1-cyclopentyl-1-piperonyl-thiourea Formula: C22H25ClN2O2S2 MolecularWeight: 449.0291

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC2=CC3=C(C=C2)OCO3)C(=S)NCCSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC(C1)N(CC2=CC3=C(C=C2)OCO3)C(=S)NCCSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H25ClN2O2S2/c23-17-6-8-19(9-7-17)29-12-11-24-22(28)25(18-3-1-2-4-18)14-16-5-10-20-21(13-16)27-15-26-20/h5-10,13,18H,1-4,11-12,14-15H2,(H,24,28)