1-(4-chlorophenyl)-3-isoquinolin-5-yl-thiourea

Systemtic Name: 1-(4-chlorophenyl)-3-isoquinolin-5-yl-thiourea Openeye Name: 1-(4-chlorophenyl)-3-(5-isoquinolyl)thiourea CAS Name: 1-(4-chlorophenyl)-3-(5-isoquinolinyl)thiourea IUPAC Name: 1-(4-chlorophenyl)-3-isoquinolin-5-ylthiourea Traditional Name: 1-(4-chlorophenyl)-3-(5-isoquinolyl)thiourea Formula: C16H12ClN3S MolecularWeight: 313.80458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)NC(=S)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)NC(=S)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H12ClN3S/c17-12-4-6-13(7-5-12)19-16(21)20-15-3-1-2-11-10-18-9-8-14(11)15/h1-10H,(H2,19,20,21)