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

Systemtic Name: N-tert-butyl-2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-tert-butyl-2-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-tert-butyl-2-[[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-tert-butyl-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-benzyl-N-tert-butyl-2-[[3-(4-ethylphenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C29H31N3O2S MolecularWeight: 485.64034

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CC4=CC=CC=C4)C(C)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CC4=CC=CC=C4)C(C)(C)C

InChI

InChI=1S/C29H31N3O2S/c1-5-21-15-17-23(18-16-21)32-27(34)24-13-9-10-14-25(24)30-28(32)35-20-26(33)31(29(2,3)4)19-22-11-7-6-8-12-22/h6-18H,5,19-20H2,1-4H3