N-[(3-chlorophenyl)methyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-[(3-chlorophenyl)methyl]-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-[(3-chlorophenyl)methyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-[(3-chlorophenyl)methyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: N-(3-chlorobenzyl)-6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCCCCC(=O)NCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCCCCC(=O)NCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H22ClN3O2S/c22-16-8-6-7-15(13-16)14-23-19(26)11-2-1-5-12-25-20(27)17-9-3-4-10-18(17)24-21(25)28/h3-4,6-10,13H,1-2,5,11-12,14H2,(H,23,26)(H,24,28)