1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(diethylaminomethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(diethylaminomethyl)phenyl]methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(diethylaminomethyl)phenyl]methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(diethylaminomethyl)phenyl]methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(diethylaminomethyl)phenyl]methyl]thiourea Traditional Name: 1-[2-(diethylaminomethyl)benzyl]-3-piperonyl-thiourea Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=CC=C1CNC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCN(CC)CC1=CC=CC=C1CNC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H27N3O2S/c1-3-24(4-2)14-18-8-6-5-7-17(18)13-23-21(27)22-12-16-9-10-19-20(11-16)26-15-25-19/h5-11H,3-4,12-15H2,1-2H3,(H2,22,23,27)