1-(2-cyanoethyl)-3-(4-ethoxyphenyl)-1-methyl-thiourea

Systemtic Name: 1-(2-cyanoethyl)-3-(4-ethoxyphenyl)-1-methyl-thiourea Openeye Name: 1-(2-cyanoethyl)-3-(4-ethoxyphenyl)-1-methyl-thiourea CAS Name: 1-(2-cyanoethyl)-3-(4-ethoxyphenyl)-1-methylthiourea IUPAC Name: 1-(2-cyanoethyl)-3-(4-ethoxyphenyl)-1-methylthiourea Traditional Name: 1-(2-cyanoethyl)-1-methyl-3-p-phenetyl-thiourea Formula: C13H17N3OS MolecularWeight: 263.35858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N(C)CCC#N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N(C)CCC#N

InChI

InChI=1S/C13H17N3OS/c1-3-17-12-7-5-11(6-8-12)15-13(18)16(2)10-4-9-14/h5-8H,3-4,10H2,1-2H3,(H,15,18)