1-(3,5-dimethylphenyl)-3-isoquinolin-5-yl-thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)NC2=CC=CC3=C2C=CN=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)NC2=CC=CC3=C2C=CN=C3)C

InChI

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