1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloranyl-2-methyl-phenyl)-1-cyclopentyl-thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloranyl-2-methyl-phenyl)-1-cyclopentyl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloro-2-methyl-phenyl)-1-cyclopentyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloro-2-methylphenyl)-1-cyclopentylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloro-2-methylphenyl)-1-cyclopentylthiourea Traditional Name: 3-(3-chloro-2-methyl-phenyl)-1-cyclopentyl-1-piperonyl-thiourea Formula: C21H23ClN2O2S MolecularWeight: 402.93752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N(CC2=CC3=C(C=C2)OCO3)C4CCCC4

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N(CC2=CC3=C(C=C2)OCO3)C4CCCC4

InChI

InChI=1S/C21H23ClN2O2S/c1-14-17(22)7-4-8-18(14)23-21(27)24(16-5-2-3-6-16)12-15-9-10-19-20(11-15)26-13-25-19/h4,7-11,16H,2-3,5-6,12-13H2,1H3,(H,23,27)