1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloranyl-4-methyl-phenyl)-1-cyclopentyl-thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloranyl-4-methyl-phenyl)-1-cyclopentyl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloro-4-methyl-phenyl)-1-cyclopentyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloro-4-methylphenyl)-1-cyclopentylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloro-4-methylphenyl)-1-cyclopentylthiourea Traditional Name: 3-(3-chloro-4-methyl-phenyl)-1-cyclopentyl-1-piperonyl-thiourea Formula: C21H23ClN2O2S MolecularWeight: 402.93752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)C4CCCC4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)C4CCCC4)Cl

InChI

InChI=1S/C21H23ClN2O2S/c1-14-6-8-16(11-18(14)22)23-21(27)24(17-4-2-3-5-17)12-15-7-9-19-20(10-15)26-13-25-19/h6-11,17H,2-5,12-13H2,1H3,(H,23,27)