2-[4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]-N-pentyl-ethanamide

Systemtic Name: 2-[4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]-N-pentyl-ethanamide Openeye Name: 2-[4-(4-oxo-2-thioxo-1H-quinazolin-3-yl)phenyl]-N-pentyl-acetamide CAS Name: 2-[4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]-N-pentylacetamide IUPAC Name: 2-[4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]-N-pentylacetamide Traditional Name: N-amyl-2-[4-(4-keto-2-thioxo-1H-quinazolin-3-yl)phenyl]acetamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CCCCCNC(=O)CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C21H23N3O2S/c1-2-3-6-13-22-19(25)14-15-9-11-16(12-10-15)24-20(26)17-7-4-5-8-18(17)23-21(24)27/h4-5,7-12H,2-3,6,13-14H2,1H3,(H,22,25)(H,23,27)