N-(3-methyl-2-phenyl-butyl)-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-(3-methyl-2-phenyl-butyl)-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-(3-methyl-2-phenyl-butyl)-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-(3-methyl-2-phenylbutyl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-(3-methyl-2-phenylbutyl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: 6-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(3-methyl-2-phenyl-butyl)hexanamide Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)CCCCCN1C(=O)C2=CC=CC=C2NC1=S)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CNC(=O)CCCCCN1C(=O)C2=CC=CC=C2NC1=S)C3=CC=CC=C3

InChI

InChI=1S/C25H31N3O2S/c1-18(2)21(19-11-5-3-6-12-19)17-26-23(29)15-7-4-10-16-28-24(30)20-13-8-9-14-22(20)27-25(28)31/h3,5-6,8-9,11-14,18,21H,4,7,10,15-17H2,1-2H3,(H,26,29)(H,27,31)