N-isoquinolin-5-yl-4-oxidanylidene-1H-quinazoline-2-carbothioamide

Systemtic Name: N-isoquinolin-5-yl-4-oxidanylidene-1H-quinazoline-2-carbothioamide Openeye Name: N-(5-isoquinolyl)-4-oxo-1H-quinazoline-2-carbothioamide CAS Name: N-(5-isoquinolinyl)-4-oxo-1H-quinazoline-2-carbothioamide IUPAC Name: N-isoquinolin-5-yl-4-oxo-1H-quinazoline-2-carbothioamide Traditional Name: N-(5-isoquinolyl)-4-keto-1H-quinazoline-2-carbothioamide Formula: C18H12N4OS MolecularWeight: 332.37908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=S)NC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=S)NC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C18H12N4OS/c23-17-13-5-1-2-6-15(13)20-16(22-17)18(24)21-14-7-3-4-11-10-19-9-8-12(11)14/h1-10H,(H,21,24)(H,20,22,23)