N-aminocarbonyl-2-[7-chloranyl-3-(2-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-methyl-butanamide

Systemtic Name: N-aminocarbonyl-2-[7-chloranyl-3-(2-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-methyl-butanamide Openeye Name: N-carbamoyl-2-[7-chloro-3-(2-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-3-methyl-butanamide CAS Name: N-carbamoyl-2-[[7-chloro-3-(2-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]-3-methylbutanamide IUPAC Name: N-carbamoyl-2-[7-chloro-3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-3-methylbutanamide Traditional Name: N-carbamoyl-2-[[7-chloro-4-keto-3-(2-methoxyphenyl)quinazolin-2-yl]thio]-3-methyl-butyramide Formula: C21H21ClN4O4S MolecularWeight: 460.93384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=CC=C3OC

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=CC=C3OC

InChI

InChI=1S/C21H21ClN4O4S/c1-11(2)17(18(27)25-20(23)29)31-21-24-14-10-12(22)8-9-13(14)19(28)26(21)15-6-4-5-7-16(15)30-3/h4-11,17H,1-3H3,(H3,23,25,27,29)