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

Systemtic Name: 6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-phenethyl-hexanamide Openeye Name: 6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-phenethyl-hexanamide CAS Name: 6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-phenethylhexanamide IUPAC Name: 6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-phenethylhexanamide Traditional Name: 6-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-phenethyl-hexanamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2S/c26-20(23-15-14-17-9-3-1-4-10-17)13-5-2-8-16-25-21(27)18-11-6-7-12-19(18)24-22(25)28/h1,3-4,6-7,9-12H,2,5,8,13-16H2,(H,23,26)(H,24,28)