1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]urea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]urea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]urea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[(2-cyanophenyl)methylthio]ethyl]urea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]urea Traditional Name: 1-[2-[(2-cyanobenzyl)thio]ethyl]-3-piperonyl-urea Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C19H19N3O3S/c20-10-15-3-1-2-4-16(15)12-26-8-7-21-19(23)22-11-14-5-6-17-18(9-14)25-13-24-17/h1-6,9H,7-8,11-13H2,(H2,21,22,23)