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

Systemtic Name: 1-isoquinolin-5-yl-3-(4-methoxyphenyl)thiourea Openeye Name: 1-(5-isoquinolyl)-3-(4-methoxyphenyl)thiourea CAS Name: 1-(5-isoquinolinyl)-3-(4-methoxyphenyl)thiourea IUPAC Name: 1-isoquinolin-5-yl-3-(4-methoxyphenyl)thiourea Traditional Name: 1-(5-isoquinolyl)-3-(4-methoxyphenyl)thiourea Formula: C17H15N3OS MolecularWeight: 309.3855

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)NC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C17H15N3OS/c1-21-14-7-5-13(6-8-14)19-17(22)20-16-4-2-3-12-11-18-10-9-15(12)16/h2-11H,1H3,(H2,19,20,22)