N-(6-nitro-1,3-benzothiazol-2-yl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-oxo-1H-quinazoline-2-carbothioamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-oxo-1H-quinazoline-2-carbothioamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-oxo-1H-quinazoline-2-carbothioamide Traditional Name: 4-keto-N-(6-nitro-1,3-benzothiazol-2-yl)-1H-quinazoline-2-carbothioamide Formula: C16H9N5O3S2 MolecularWeight: 383.40436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=S)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=S)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H9N5O3S2/c22-14-9-3-1-2-4-10(9)17-13(19-14)15(25)20-16-18-11-6-5-8(21(23)24)7-12(11)26-16/h1-7H,(H,17,19,22)(H,18,20,25)