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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-1-(cyclohex-3-en-1-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-1-(cyclohex-3-en-1-ylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-1-(1-cyclohex-3-enylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-1-(cyclohex-3-en-1-ylmethyl)thiourea Traditional Name: 3-(4-chlorophenyl)-1-(cyclohex-3-en-1-ylmethyl)-1-piperonyl-thiourea Formula: C22H23ClN2O2S MolecularWeight: 414.94822

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC(CC=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H23ClN2O2S/c23-18-7-9-19(10-8-18)24-22(28)25(13-16-4-2-1-3-5-16)14-17-6-11-20-21(12-17)27-15-26-20/h1-2,6-12,16H,3-5,13-15H2,(H,24,28)