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

Systemtic Name: 6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(phenylmethyl)hexanamide Openeye Name: N-benzyl-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: 6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(phenylmethyl)hexanamide IUPAC Name: N-benzyl-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: N-benzyl-6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C21H23N3O2S/c25-19(22-15-16-9-3-1-4-10-16)13-5-2-8-14-24-20(26)17-11-6-7-12-18(17)23-21(24)27/h1,3-4,6-7,9-12H,2,5,8,13-15H2,(H,22,25)(H,23,27)