1-(3,4-dimethylphenyl)-3-isoquinolin-5-yl-thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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