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

Systemtic Name: 1-isoquinolin-5-yl-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(5-isoquinolyl)thiourea CAS Name: 1-(5-isoquinolinyl)-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-isoquinolin-5-ylthiourea Traditional Name: 1-benzyl-3-(5-isoquinolyl)thiourea Formula: C17H15N3S MolecularWeight: 293.3861

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3S/c21-17(19-11-13-5-2-1-3-6-13)20-16-8-4-7-14-12-18-10-9-15(14)16/h1-10,12H,11H2,(H2,19,20,21)