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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[1-(dimethylamino)cyclohexyl]methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[1-(dimethylamino)cyclohexyl]methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[1-(dimethylamino)cyclohexyl]methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[1-(dimethylamino)cyclohexyl]methyl]thiourea Traditional Name: 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-piperonyl-thiourea Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1(CCCCC1)CNC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN(C)C1(CCCCC1)CNC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H27N3O2S/c1-21(2)18(8-4-3-5-9-18)12-20-17(24)19-11-14-6-7-15-16(10-14)23-13-22-15/h6-7,10H,3-5,8-9,11-13H2,1-2H3,(H2,19,20,24)