2-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(5-methoxy-2-methyl-4-nitro-phenyl)ethanamide

Systemtic Name: 2-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(5-methoxy-2-methyl-4-nitro-phenyl)ethanamide Openeye Name: 2-[3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide CAS Name: 2-[[3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide IUPAC Name: 2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide Traditional Name: 2-[[4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide Formula: C21H22N4O6S MolecularWeight: 458.48758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCOC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCOC)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O6S/c1-13-10-17(25(28)29)18(31-3)11-16(13)22-19(26)12-32-21-23-15-7-5-4-6-14(15)20(27)24(21)8-9-30-2/h4-7,10-11H,8-9,12H2,1-3H3,(H,22,26)