1-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea

Systemtic Name: 1-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea Openeye Name: 1-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea CAS Name: 1-[2-[(2-cyanophenyl)methylthio]ethyl]-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea IUPAC Name: 1-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea Traditional Name: 1-[2-[(2-cyanobenzyl)thio]ethyl]-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CNC(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C20H21N3O3S/c21-11-15-5-1-2-6-16(15)14-27-10-9-22-20(24)23-12-17-13-25-18-7-3-4-8-19(18)26-17/h1-8,17H,9-10,12-14H2,(H2,22,23,24)