1-(2-cyanoethyl)-3-(4-methylsulfanylphenyl)-1-(phenylmethyl)urea

Systemtic Name: 1-(2-cyanoethyl)-3-(4-methylsulfanylphenyl)-1-(phenylmethyl)urea Openeye Name: 1-benzyl-1-(2-cyanoethyl)-3-(4-methylsulfanylphenyl)urea CAS Name: 1-(2-cyanoethyl)-3-[4-(methylthio)phenyl]-1-(phenylmethyl)urea IUPAC Name: 1-benzyl-1-(2-cyanoethyl)-3-(4-methylsulfanylphenyl)urea Traditional Name: 1-benzyl-1-(2-cyanoethyl)-3-[4-(methylthio)phenyl]urea Formula: C18H19N3OS MolecularWeight: 325.42796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)N(CCC#N)CC2=CC=CC=C2

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)N(CCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C18H19N3OS/c1-23-17-10-8-16(9-11-17)20-18(22)21(13-5-12-19)14-15-6-3-2-4-7-15/h2-4,6-11H,5,13-14H2,1H3,(H,20,22)