N-(2-methyl-6-propan-2-yl-phenyl)-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-methyl-6-propan-2-yl-phenyl)-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-isopropyl-6-methyl-phenyl)acetamide CAS Name: N-(2-methyl-6-propan-2-ylphenyl)-2-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide Traditional Name: 2-[(3-benzyl-4-keto-quinazolin-2-yl)thio]-N-(2-isopropyl-6-methyl-phenyl)acetamide Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O2S/c1-18(2)21-14-9-10-19(3)25(21)29-24(31)17-33-27-28-23-15-8-7-13-22(23)26(32)30(27)16-20-11-5-4-6-12-20/h4-15,18H,16-17H2,1-3H3,(H,29,31)