1-[3-[1,3-benzodioxol-5-ylmethyl(3-methylsulfanylpropyl)amino]propyl]-3-(2-phenylphenyl)urea

Systemtic Name: 1-[3-[1,3-benzodioxol-5-ylmethyl(3-methylsulfanylpropyl)amino]propyl]-3-(2-phenylphenyl)urea Openeye Name: 1-[3-[1,3-benzodioxol-5-ylmethyl(3-methylsulfanylpropyl)amino]propyl]-3-(2-phenylphenyl)urea CAS Name: 1-[3-[1,3-benzodioxol-5-ylmethyl-[3-(methylthio)propyl]amino]propyl]-3-(2-phenylphenyl)urea IUPAC Name: 1-[3-[1,3-benzodioxol-5-ylmethyl(3-methylsulfanylpropyl)amino]propyl]-3-(2-phenylphenyl)urea Traditional Name: 1-[3-[3-(methylthio)propyl-piperonyl-amino]propyl]-3-(2-phenylphenyl)urea Formula: C28H33N3O3S MolecularWeight: 491.64492

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCN(CCCNC(=O)NC1=CC=CC=C1C2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CSCCCN(CCCNC(=O)NC1=CC=CC=C1C2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C28H33N3O3S/c1-35-18-8-17-31(20-22-13-14-26-27(19-22)34-21-33-26)16-7-15-29-28(32)30-25-12-6-5-11-24(25)23-9-3-2-4-10-23/h2-6,9-14,19H,7-8,15-18,20-21H2,1H3,(H2,29,30,32)