3-(4-butylphenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 3-(4-butylphenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-(4-butylphenyl)-1-(2-cyanoethyl)-1-(3-pyridylmethyl)thiourea CAS Name: 3-(4-butylphenyl)-1-(2-cyanoethyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-(4-butylphenyl)-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(4-butylphenyl)-1-(2-cyanoethyl)-1-(3-pyridylmethyl)thiourea Formula: C20H24N4S MolecularWeight: 352.49636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N(CCC#N)CC2=CN=CC=C2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N(CCC#N)CC2=CN=CC=C2

InChI

InChI=1S/C20H24N4S/c1-2-3-6-17-8-10-19(11-9-17)23-20(25)24(14-5-12-21)16-18-7-4-13-22-15-18/h4,7-11,13,15H,2-3,5-6,14,16H2,1H3,(H,23,25)