2-[3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(2S)-5-methylhexan-2-yl]ethanamide

Systemtic Name: 2-[3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(2S)-5-methylhexan-2-yl]ethanamide Openeye Name: N-[(1S)-1,4-dimethylpentyl]-2-[3-[(4-methoxyphenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[3-[(4-methoxyphenyl)methyl]-4-oxo-2-quinazolinyl]thio]-N-[(2S)-5-methylhexan-2-yl]acetamide IUPAC Name: 2-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-5-methylhexan-2-yl]acetamide Traditional Name: N-[(1S)-1,4-dimethylpentyl]-2-[(4-keto-3-p-anisyl-quinazolin-2-yl)thio]acetamide Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)OC

Isomeric SMILES

C[C@@H](CCC(C)C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)OC

InChI

InChI=1S/C25H31N3O3S/c1-17(2)9-10-18(3)26-23(29)16-32-25-27-22-8-6-5-7-21(22)24(30)28(25)15-19-11-13-20(31-4)14-12-19/h5-8,11-14,17-18H,9-10,15-16H2,1-4H3,(H,26,29)/t18-/m0/s1