3-(4-chloranyl-3-methyl-phenyl)-1-(phenylmethyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 3-(4-chloranyl-3-methyl-phenyl)-1-(phenylmethyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-benzyl-3-(4-chloro-3-methyl-phenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 3-(4-chloro-3-methylphenyl)-1-(phenylmethyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-benzyl-3-(4-chloro-3-methylphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-benzyl-3-(4-chloro-3-methyl-phenyl)-1-(3-pyridylmethyl)thiourea Formula: C21H20ClN3S MolecularWeight: 381.9216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CN=CC=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CN=CC=C3)Cl

InChI

InChI=1S/C21H20ClN3S/c1-16-12-19(9-10-20(16)22)24-21(26)25(14-17-6-3-2-4-7-17)15-18-8-5-11-23-13-18/h2-13H,14-15H2,1H3,(H,24,26)