1-(1,3-benzodioxol-5-ylmethyl)-3-[3-[ethyl(phenyl)amino]propyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-[ethyl(phenyl)amino]propyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(N-ethylanilino)propyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(N-ethylanilino)propyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(N-ethylanilino)propyl]thiourea Traditional Name: 1-[3-(N-ethylanilino)propyl]-3-piperonyl-thiourea Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2S/c1-2-23(17-7-4-3-5-8-17)12-6-11-21-20(26)22-14-16-9-10-18-19(13-16)25-15-24-18/h3-5,7-10,13H,2,6,11-12,14-15H2,1H3,(H2,21,22,26)