1-(2-cyanoethyl)-3-(2,5-dimethoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-(2-cyanoethyl)-3-(2,5-dimethoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-(2-cyanoethyl)-3-(2,5-dimethoxyphenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-(2-cyanoethyl)-3-(2,5-dimethoxyphenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-(2-cyanoethyl)-3-(2,5-dimethoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(2-cyanoethyl)-3-(2,5-dimethoxyphenyl)-1-(3-pyridylmethyl)thiourea Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O2S/c1-23-15-6-7-17(24-2)16(11-15)21-18(25)22(10-4-8-19)13-14-5-3-9-20-12-14/h3,5-7,9,11-12H,4,10,13H2,1-2H3,(H,21,25)