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

Systemtic Name: ethyl N-[2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]carbamate Openeye Name: ethyl N-[2-[4-oxo-3-(p-tolylmethyl)quinazolin-2-yl]sulfanylacetyl]carbamate CAS Name: N-[2-[[3-[(4-methylphenyl)methyl]-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetyl]carbamate Traditional Name: N-[2-[[4-keto-3-(4-methylbenzyl)quinazolin-2-yl]thio]acetyl]carbamic acid ethyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)C

InChI

InChI=1S/C21H21N3O4S/c1-3-28-21(27)23-18(25)13-29-20-22-17-7-5-4-6-16(17)19(26)24(20)12-15-10-8-14(2)9-11-15/h4-11H,3,12-13H2,1-2H3,(H,23,25,27)