N-[(2S)-heptan-2-yl]-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(2S)-heptan-2-yl]-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[(1S)-1-methylhexyl]acetamide CAS Name: N-[(2S)-heptan-2-yl]-2-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(2S)-heptan-2-yl]acetamide Traditional Name: 2-[(3-benzyl-4-keto-quinazolin-2-yl)thio]-N-[(1S)-1-methylhexyl]acetamide Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O2S/c1-3-4-6-11-18(2)25-22(28)17-30-24-26-21-15-10-9-14-20(21)23(29)27(24)16-19-12-7-5-8-13-19/h5,7-10,12-15,18H,3-4,6,11,16-17H2,1-2H3,(H,25,28)/t18-/m0/s1