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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C22H25N3O2S/c1-16(17-10-4-2-5-11-17)23-20(26)14-6-3-9-15-25-21(27)18-12-7-8-13-19(18)24-22(25)28/h2,4-5,7-8,10-13,16H,3,6,9,14-15H2,1H3,(H,23,26)(H,24,28)/t16-/m0/s1