methyl N-[(2R)-2-(7-chloranyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanylpropanoyl]carbamate

Systemtic Name: methyl N-[(2R)-2-(7-chloranyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanylpropanoyl]carbamate Openeye Name: methyl N-[(2R)-2-(7-chloro-4-oxo-3-pentyl-quinazolin-2-yl)sulfanylpropanoyl]carbamate CAS Name: N-[(2R)-2-[(7-chloro-4-oxo-3-pentyl-2-quinazolinyl)thio]-1-oxopropyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2R)-2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanylpropanoyl]carbamate Traditional Name: N-[(2R)-2-[(3-amyl-7-chloro-4-keto-quinazolin-2-yl)thio]propanoyl]carbamic acid methyl ester Formula: C18H22ClN3O4S MolecularWeight: 411.90298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NC(=O)OC

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1S[C@H](C)C(=O)NC(=O)OC

InChI

InChI=1S/C18H22ClN3O4S/c1-4-5-6-9-22-16(24)13-8-7-12(19)10-14(13)20-17(22)27-11(2)15(23)21-18(25)26-3/h7-8,10-11H,4-6,9H2,1-3H3,(H,21,23,25)/t11-/m1/s1