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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-1-cyclopentyl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-1-cyclopentyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-1-cyclopentylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-1-cyclopentylthiourea Traditional Name: 3-(4-chlorophenyl)-1-cyclopentyl-1-piperonyl-thiourea Formula: C20H21ClN2O2S MolecularWeight: 388.91094

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC(C1)N(CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H21ClN2O2S/c21-15-6-8-16(9-7-15)22-20(26)23(17-3-1-2-4-17)12-14-5-10-18-19(11-14)25-13-24-18/h5-11,17H,1-4,12-13H2,(H,22,26)