N-ethyl-2-[3-(7-methyloctyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-ethyl-2-[3-(7-methyloctyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-ethyl-2-[3-(7-methyloctyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-ethyl-2-[[3-(7-methyloctyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-ethyl-2-[3-(7-methyloctyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-ethyl-2-[[4-keto-3-(7-methyloctyl)quinazolin-2-yl]thio]acetamide Formula: C21H31N3O2S MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCCCCC(C)C

Isomeric SMILES

CCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCCCCC(C)C

InChI

InChI=1S/C21H31N3O2S/c1-4-22-19(25)15-27-21-23-18-13-9-8-12-17(18)20(26)24(21)14-10-6-5-7-11-16(2)3/h8-9,12-13,16H,4-7,10-11,14-15H2,1-3H3,(H,22,25)