1-(2-cyanoethyl)-3-(3-methylsulfanylphenyl)-1-(oxolan-2-ylmethyl)urea

Systemtic Name: 1-(2-cyanoethyl)-3-(3-methylsulfanylphenyl)-1-(oxolan-2-ylmethyl)urea Openeye Name: 1-(2-cyanoethyl)-3-(3-methylsulfanylphenyl)-1-(tetrahydrofuran-2-ylmethyl)urea CAS Name: 1-(2-cyanoethyl)-3-[3-(methylthio)phenyl]-1-(2-oxolanylmethyl)urea IUPAC Name: 1-(2-cyanoethyl)-3-(3-methylsulfanylphenyl)-1-(oxolan-2-ylmethyl)urea Traditional Name: 1-(2-cyanoethyl)-3-[3-(methylthio)phenyl]-1-(tetrahydrofurfuryl)urea Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)N(CCC#N)CC2CCCO2

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)N(CCC#N)CC2CCCO2

InChI

InChI=1S/C16H21N3O2S/c1-22-15-7-2-5-13(11-15)18-16(20)19(9-4-8-17)12-14-6-3-10-21-14/h2,5,7,11,14H,3-4,6,9-10,12H2,1H3,(H,18,20)