ethyl N-[2-[3-(7-methyloctyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]carbamate

Systemtic Name: ethyl N-[2-[3-(7-methyloctyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]carbamate Openeye Name: ethyl N-[2-[3-(7-methyloctyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]carbamate CAS Name: N-[2-[[3-(7-methyloctyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-[3-(7-methyloctyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]carbamate Traditional Name: N-[2-[[4-keto-3-(7-methyloctyl)quinazolin-2-yl]thio]acetyl]carbamic acid ethyl ester Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCCCCC(C)C

Isomeric SMILES

CCOC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCCCCC(C)C

InChI

InChI=1S/C22H31N3O4S/c1-4-29-22(28)24-19(26)15-30-21-23-18-13-9-8-12-17(18)20(27)25(21)14-10-6-5-7-11-16(2)3/h8-9,12-13,16H,4-7,10-11,14-15H2,1-3H3,(H,24,26,28)