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

Systemtic Name: ethyl N-[2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]carbamate Openeye Name: ethyl N-[2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]carbamate CAS Name: N-[2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]carbamate Traditional Name: N-[2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]acetyl]carbamic acid ethyl ester Formula: C18H22ClN3O4S MolecularWeight: 411.90298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CCC(C)C

Isomeric SMILES

CCOC(=O)NC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CCC(C)C

InChI

InChI=1S/C18H22ClN3O4S/c1-4-26-18(25)21-15(23)10-27-17-20-14-9-12(19)5-6-13(14)16(24)22(17)8-7-11(2)3/h5-6,9,11H,4,7-8,10H2,1-3H3,(H,21,23,25)