1-isoquinolin-5-yl-3-(3-methylphenyl)thiourea

Systemtic Name: 1-isoquinolin-5-yl-3-(3-methylphenyl)thiourea Openeye Name: 1-(5-isoquinolyl)-3-(m-tolyl)thiourea CAS Name: 1-(5-isoquinolinyl)-3-(3-methylphenyl)thiourea IUPAC Name: 1-isoquinolin-5-yl-3-(3-methylphenyl)thiourea Traditional Name: 1-(5-isoquinolyl)-3-(m-tolyl)thiourea Formula: C17H15N3S MolecularWeight: 293.3861

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3S/c1-12-4-2-6-14(10-12)19-17(21)20-16-7-3-5-13-11-18-9-8-15(13)16/h2-11H,1H3,(H2,19,20,21)