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

Systemtic Name: N-heptan-2-yl-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-(1-methylhexyl)-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-heptan-2-yl-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-heptan-2-yl-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: 6-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(1-methylhexyl)hexanamide Formula: C21H31N3O2S MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CCCCCN1C(=O)C2=CC=CC=C2NC1=S

Isomeric SMILES

CCCCCC(C)NC(=O)CCCCCN1C(=O)C2=CC=CC=C2NC1=S

InChI

InChI=1S/C21H31N3O2S/c1-3-4-6-11-16(2)22-19(25)14-7-5-10-15-24-20(26)17-12-8-9-13-18(17)23-21(24)27/h8-9,12-13,16H,3-7,10-11,14-15H2,1-2H3,(H,22,25)(H,23,27)