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

Systemtic Name: 1-(4-ethylphenyl)-3-isoquinolin-5-yl-thiourea Openeye Name: 1-(4-ethylphenyl)-3-(5-isoquinolyl)thiourea CAS Name: 1-(4-ethylphenyl)-3-(5-isoquinolinyl)thiourea IUPAC Name: 1-(4-ethylphenyl)-3-isoquinolin-5-ylthiourea Traditional Name: 1-(4-ethylphenyl)-3-(5-isoquinolyl)thiourea Formula: C18H17N3S MolecularWeight: 307.41268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C18H17N3S/c1-2-13-6-8-15(9-7-13)20-18(22)21-17-5-3-4-14-12-19-11-10-16(14)17/h3-12H,2H2,1H3,(H2,20,21,22)