N-(6-nitro-3a,7a-dihydro-1,3-benzothiazol-2-yl)-N'-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)ethanediamide

Systemtic Name: N-(6-nitro-3a,7a-dihydro-1,3-benzothiazol-2-yl)-N'-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)ethanediamide Openeye Name: N-(6-nitro-3a,7a-dihydro-1,3-benzothiazol-2-yl)-N'-(4-oxo-2-thioxo-1H-quinazolin-3-yl)oxamide CAS Name: N-(6-nitro-3a,7a-dihydro-1,3-benzothiazol-2-yl)-N'-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)oxamide IUPAC Name: N-(6-nitro-3a,7a-dihydro-1,3-benzothiazol-2-yl)-N'-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)oxamide Traditional Name: N'-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(6-nitro-3a,7a-dihydro-1,3-benzothiazol-2-yl)oxamide Formula: C17H12N6O5S2 MolecularWeight: 444.44438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC(=O)C(=O)NC3=NC4C=CC(=CC4S3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC(=O)C(=O)NC3=NC4C=CC(=CC4S3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N6O5S2/c24-13(20-16-18-11-6-5-8(23(27)28)7-12(11)30-16)14(25)21-22-15(26)9-3-1-2-4-10(9)19-17(22)29/h1-7,11-12H,(H,19,29)(H,21,25)(H,18,20,24)