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

Systemtic Name: 6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(phenylmethylsulfanyl)ethyl]hexanamide Openeye Name: N-(2-benzylsulfanylethyl)-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: 6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(phenylmethylthio)ethyl]hexanamide IUPAC Name: N-(2-benzylsulfanylethyl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: N-[2-(benzylthio)ethyl]-6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C23H27N3O2S2 MolecularWeight: 441.60938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2S2/c27-21(24-14-16-30-17-18-9-3-1-4-10-18)13-5-2-8-15-26-22(28)19-11-6-7-12-20(19)25-23(26)29/h1,3-4,6-7,9-12H,2,5,8,13-17H2,(H,24,27)(H,25,29)