N-(6-nitroquinolin-5-yl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide

Systemtic Name: N-(6-nitroquinolin-5-yl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide Openeye Name: N-(6-nitro-5-quinolyl)-4-oxo-1H-quinazoline-2-carbothioamide CAS Name: N-(6-nitro-5-quinolinyl)-4-oxo-1H-quinazoline-2-carbothioamide IUPAC Name: N-(6-nitroquinolin-5-yl)-4-oxo-1H-quinazoline-2-carbothioamide Traditional Name: 4-keto-N-(6-nitro-5-quinolyl)-1H-quinazoline-2-carbothioamide Formula: C18H11N5O3S MolecularWeight: 377.37664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=S)NC3=C(C=CC4=C3C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=S)NC3=C(C=CC4=C3C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C18H11N5O3S/c24-17-11-4-1-2-6-13(11)20-16(22-17)18(27)21-15-10-5-3-9-19-12(10)7-8-14(15)23(25)26/h1-9H,(H,21,27)(H,20,22,24)