2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[[3-(4-ethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C25H19N5O4S2 MolecularWeight: 517.57946

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H19N5O4S2/c1-2-15-7-9-16(10-8-15)29-23(32)18-5-3-4-6-19(18)27-25(29)35-14-22(31)28-24-26-20-12-11-17(30(33)34)13-21(20)36-24/h3-13H,2,14H2,1H3,(H,26,28,31)