1-(1,3-benzodioxol-5-ylmethyl)-3-[3-[methyl-(phenylmethyl)amino]propyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-[methyl-(phenylmethyl)amino]propyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-[benzyl(methyl)amino]propyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-[methyl-(phenylmethyl)amino]propyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-[benzyl(methyl)amino]propyl]thiourea Traditional Name: 1-[3-[benzyl(methyl)amino]propyl]-3-piperonyl-thiourea Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=S)NCC1=CC2=C(C=C1)OCO2)CC3=CC=CC=C3

Isomeric SMILES

CN(CCCNC(=S)NCC1=CC2=C(C=C1)OCO2)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O2S/c1-23(14-16-6-3-2-4-7-16)11-5-10-21-20(26)22-13-17-8-9-18-19(12-17)25-15-24-18/h2-4,6-9,12H,5,10-11,13-15H2,1H3,(H2,21,22,26)