3-[2-(4-chlorophenyl)ethyl]-1,1-bis(pyridin-2-ylmethyl)thiourea

Systemtic Name: 3-[2-(4-chlorophenyl)ethyl]-1,1-bis(pyridin-2-ylmethyl)thiourea Openeye Name: 3-[2-(4-chlorophenyl)ethyl]-1,1-bis(2-pyridylmethyl)thiourea CAS Name: 3-[2-(4-chlorophenyl)ethyl]-1,1-bis(2-pyridinylmethyl)thiourea IUPAC Name: 3-[2-(4-chlorophenyl)ethyl]-1,1-bis(pyridin-2-ylmethyl)thiourea Traditional Name: 3-[2-(4-chlorophenyl)ethyl]-1,1-bis(2-pyridylmethyl)thiourea Formula: C21H21ClN4S MolecularWeight: 396.93624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CN(CC2=CC=CC=N2)C(=S)NCCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=NC(=C1)CN(CC2=CC=CC=N2)C(=S)NCCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN4S/c22-18-9-7-17(8-10-18)11-14-25-21(27)26(15-19-5-1-3-12-23-19)16-20-6-2-4-13-24-20/h1-10,12-13H,11,14-16H2,(H,25,27)