2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2-methoxy-4-nitro-phenyl)ethanamide

Systemtic Name: 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2-methoxy-4-nitro-phenyl)ethanamide Openeye Name: 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2-methoxy-4-nitro-phenyl)acetamide CAS Name: 2-[(2-cyclopropyl-4-quinazolinyl)thio]-N-(2-methoxy-4-nitrophenyl)acetamide IUPAC Name: 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2-methoxy-4-nitrophenyl)acetamide Traditional Name: 2-[(2-cyclopropylquinazolin-4-yl)thio]-N-(2-methoxy-4-nitro-phenyl)acetamide Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4CC4

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4CC4

InChI

InChI=1S/C20H18N4O4S/c1-28-17-10-13(24(26)27)8-9-16(17)21-18(25)11-29-20-14-4-2-3-5-15(14)22-19(23-20)12-6-7-12/h2-5,8-10,12H,6-7,11H2,1H3,(H,21,25)