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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[(2-cyanophenyl)methylthio]ethyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]thiourea Traditional Name: 1-[2-[(2-cyanobenzyl)thio]ethyl]-3-piperonyl-thiourea Formula: C19H19N3O2S2 MolecularWeight: 385.50306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O2S2/c20-10-15-3-1-2-4-16(15)12-26-8-7-21-19(25)22-11-14-5-6-17-18(9-14)24-13-23-17/h1-6,9H,7-8,11-13H2,(H2,21,22,25)