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

Systemtic Name: 1-(4-ethanoylphenyl)-3-isoquinolin-5-yl-thiourea Openeye Name: 1-(4-acetylphenyl)-3-(5-isoquinolyl)thiourea CAS Name: 1-(4-acetylphenyl)-3-(5-isoquinolinyl)thiourea IUPAC Name: 1-(4-acetylphenyl)-3-isoquinolin-5-ylthiourea Traditional Name: 1-(4-acetylphenyl)-3-(5-isoquinolyl)thiourea Formula: C18H15N3OS MolecularWeight: 321.3962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3OS/c1-12(22)13-5-7-15(8-6-13)20-18(23)21-17-4-2-3-14-11-19-10-9-16(14)17/h2-11H,1H3,(H2,20,21,23)