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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-chloranyl-5-methyl-phenyl)-1-(cyclohex-3-en-1-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-chloro-5-methyl-phenyl)-1-(cyclohex-3-en-1-ylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-chloro-5-methylphenyl)-1-(1-cyclohex-3-enylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-chloro-5-methylphenyl)-1-(cyclohex-3-en-1-ylmethyl)thiourea Traditional Name: 3-(2-chloro-5-methyl-phenyl)-1-(cyclohex-3-en-1-ylmethyl)-1-piperonyl-thiourea Formula: C23H25ClN2O2S MolecularWeight: 428.9748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)NC(=S)N(CC2CCC=CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)NC(=S)N(CC2CCC=CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H25ClN2O2S/c1-16-7-9-19(24)20(11-16)25-23(29)26(13-17-5-3-2-4-6-17)14-18-8-10-21-22(12-18)28-15-27-21/h2-3,7-12,17H,4-6,13-15H2,1H3,(H,25,29)