N-tert-butyl-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-tert-butyl-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanyl-N-tert-butyl-acetamide CAS Name: N-tert-butyl-2-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-tert-butylacetamide Traditional Name: 2-[(3-benzyl-4-keto-quinazolin-2-yl)thio]-N-tert-butyl-acetamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S/c1-21(2,3)23-18(25)14-27-20-22-17-12-8-7-11-16(17)19(26)24(20)13-15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3,(H,23,25)