6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(pyridin-4-ylmethyl)hexanamide

Systemtic Name: 6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(pyridin-4-ylmethyl)hexanamide Openeye Name: 6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-(4-pyridylmethyl)hexanamide CAS Name: 6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(pyridin-4-ylmethyl)hexanamide IUPAC Name: 6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(pyridin-4-ylmethyl)hexanamide Traditional Name: 6-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(4-pyridylmethyl)hexanamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O2S/c25-18(22-14-15-9-11-21-12-10-15)8-2-1-5-13-24-19(26)16-6-3-4-7-17(16)23-20(24)27/h3-4,6-7,9-12H,1-2,5,8,13-14H2,(H,22,25)(H,23,27)