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

Systemtic Name: ethyl N-[2-[3-(4-butylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]carbamate Openeye Name: ethyl N-[2-[3-(4-butylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]carbamate CAS Name: N-[2-[[3-(4-butylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-[3-(4-butylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]carbamate Traditional Name: N-[2-[[3-(4-butylphenyl)-4-keto-quinazolin-2-yl]thio]acetyl]carbamic acid ethyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(=O)OCC

InChI

InChI=1S/C23H25N3O4S/c1-3-5-8-16-11-13-17(14-12-16)26-21(28)18-9-6-7-10-19(18)24-22(26)31-15-20(27)25-23(29)30-4-2/h6-7,9-14H,3-5,8,15H2,1-2H3,(H,25,27,29)