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

Systemtic Name: N-[(4-cyanophenyl)methyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-[(4-cyanophenyl)methyl]-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-[(4-cyanophenyl)methyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-[(4-cyanophenyl)methyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: N-(4-cyanobenzyl)-6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O2S/c23-14-16-9-11-17(12-10-16)15-24-20(27)8-2-1-5-13-26-21(28)18-6-3-4-7-19(18)25-22(26)29/h3-4,6-7,9-12H,1-2,5,8,13,15H2,(H,24,27)(H,25,29)