3-(5-chloranyl-2-methoxy-phenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 3-(5-chloranyl-2-methoxy-phenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-(5-chloro-2-methoxy-phenyl)-1-(2-cyanoethyl)-1-(3-pyridylmethyl)thiourea CAS Name: 3-(5-chloro-2-methoxyphenyl)-1-(2-cyanoethyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-(5-chloro-2-methoxyphenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(5-chloro-2-methoxy-phenyl)-1-(2-cyanoethyl)-1-(3-pyridylmethyl)thiourea Formula: C17H17ClN4OS MolecularWeight: 360.86108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=S)N(CCC#N)CC2=CN=CC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=S)N(CCC#N)CC2=CN=CC=C2

InChI

InChI=1S/C17H17ClN4OS/c1-23-16-6-5-14(18)10-15(16)21-17(24)22(9-3-7-19)12-13-4-2-8-20-11-13/h2,4-6,8,10-11H,3,9,12H2,1H3,(H,21,24)