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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloranyl-2-methoxy-phenyl)-1-(cyclohex-3-en-1-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloro-2-methoxy-phenyl)-1-(cyclohex-3-en-1-ylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloro-2-methoxyphenyl)-1-(1-cyclohex-3-enylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloro-2-methoxyphenyl)-1-(cyclohex-3-en-1-ylmethyl)thiourea Traditional Name: 3-(5-chloro-2-methoxy-phenyl)-1-(cyclohex-3-en-1-ylmethyl)-1-piperonyl-thiourea Formula: C23H25ClN2O3S MolecularWeight: 444.9742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=S)N(CC2CCC=CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=S)N(CC2CCC=CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H25ClN2O3S/c1-27-20-10-8-18(24)12-19(20)25-23(30)26(13-16-5-3-2-4-6-16)14-17-7-9-21-22(11-17)29-15-28-21/h2-3,7-12,16H,4-6,13-15H2,1H3,(H,25,30)