N-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-2-(4-methoxyphenyl)sulfanyl-N-propyl-ethanamide

Systemtic Name: N-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-2-(4-methoxyphenyl)sulfanyl-N-propyl-ethanamide Openeye Name: N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-2-(4-methoxyphenyl)sulfanyl-N-propyl-acetamide CAS Name: N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-2-[(4-methoxyphenyl)thio]-N-propylacetamide IUPAC Name: N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-2-(4-methoxyphenyl)sulfanyl-N-propylacetamide Traditional Name: N-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]-2-[(4-methoxyphenyl)thio]-N-propyl-acetamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)CSC3=CC=C(C=C3)OC

Isomeric SMILES

CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)CSC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H22ClN3O3S/c1-3-10-25(20(26)13-29-16-7-5-15(28-2)6-8-16)12-19-23-18-11-14(22)4-9-17(18)21(27)24-19/h4-9,11H,3,10,12-13H2,1-2H3,(H,23,24,27)