1-(1,3-benzodioxol-5-ylmethyl)-3-cyclohexyl-1-[(4-methylphenyl)methyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclohexyl-1-[(4-methylphenyl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclohexyl-1-(p-tolylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclohexyl-1-[(4-methylphenyl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclohexyl-1-[(4-methylphenyl)methyl]thiourea Traditional Name: 3-cyclohexyl-1-(4-methylbenzyl)-1-piperonyl-thiourea Formula: C23H28N2O2S MolecularWeight: 396.54562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=S)NC4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=S)NC4CCCCC4

InChI

InChI=1S/C23H28N2O2S/c1-17-7-9-18(10-8-17)14-25(23(28)24-20-5-3-2-4-6-20)15-19-11-12-21-22(13-19)27-16-26-21/h7-13,20H,2-6,14-16H2,1H3,(H,24,28)