2-[3-(2-methylprop-2-enyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(E)-(3-nitrophenyl)methylideneamino]ethanamide

Systemtic Name: 2-[3-(2-methylprop-2-enyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(E)-(3-nitrophenyl)methylideneamino]ethanamide Openeye Name: 2-[3-(2-methylallyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[(E)-(3-nitrophenyl)methyleneamino]acetamide CAS Name: 2-[[3-(2-methylprop-2-enyl)-4-oxo-2-quinazolinyl]thio]-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide IUPAC Name: 2-[3-(2-methylprop-2-enyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide Traditional Name: 2-[[4-keto-3-(2-methylallyl)quinazolin-2-yl]thio]-N-[(E)-(3-nitrobenzylidene)amino]acetamide Formula: C21H19N5O4S MolecularWeight: 437.47166

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N/N=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O4S/c1-14(2)12-25-20(28)17-8-3-4-9-18(17)23-21(25)31-13-19(27)24-22-11-15-6-5-7-16(10-15)26(29)30/h3-11H,1,12-13H2,2H3,(H,24,27)/b22-11+