1-[(3,4-dimethylphenyl)methyl]-1-(furan-2-ylmethyl)-3-pyridin-4-yl-thiourea

Systemtic Name: 1-[(3,4-dimethylphenyl)methyl]-1-(furan-2-ylmethyl)-3-pyridin-4-yl-thiourea Openeye Name: 1-[(3,4-dimethylphenyl)methyl]-1-(2-furylmethyl)-3-(4-pyridyl)thiourea CAS Name: 1-[(3,4-dimethylphenyl)methyl]-1-(2-furanylmethyl)-3-pyridin-4-ylthiourea IUPAC Name: 1-[(3,4-dimethylphenyl)methyl]-1-(furan-2-ylmethyl)-3-pyridin-4-ylthiourea Traditional Name: 1-(3,4-dimethylbenzyl)-1-(2-furfuryl)-3-(4-pyridyl)thiourea Formula: C20H21N3OS MolecularWeight: 351.46524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=S)NC3=CC=NC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=S)NC3=CC=NC=C3)C

InChI

InChI=1S/C20H21N3OS/c1-15-5-6-17(12-16(15)2)13-23(14-19-4-3-11-24-19)20(25)22-18-7-9-21-10-8-18/h3-12H,13-14H2,1-2H3,(H,21,22,25)