N-(5-chloranyl-2-methoxy-phenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-acetamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[(2-cyclopropyl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-[(2-cyclopropylquinazolin-4-yl)thio]acetamide Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4CC4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4CC4

InChI

InChI=1S/C20H18ClN3O2S/c1-26-17-9-8-13(21)10-16(17)22-18(25)11-27-20-14-4-2-3-5-15(14)23-19(24-20)12-6-7-12/h2-5,8-10,12H,6-7,11H2,1H3,(H,22,25)