N-aminocarbonyl-2-[3-(4-butan-2-ylphenyl)-7-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-aminocarbonyl-2-[3-(4-butan-2-ylphenyl)-7-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-carbamoyl-2-[7-chloro-4-oxo-3-(4-sec-butylphenyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[3-(4-butan-2-ylphenyl)-7-chloro-4-oxo-2-quinazolinyl]thio]-N-carbamoylacetamide IUPAC Name: 2-[3-(4-butan-2-ylphenyl)-7-chloro-4-oxoquinazolin-2-yl]sulfanyl-N-carbamoylacetamide Traditional Name: N-carbamoyl-2-[[7-chloro-4-keto-3-(4-sec-butylphenyl)quinazolin-2-yl]thio]acetamide Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)NC(=O)N

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)NC(=O)N

InChI

InChI=1S/C21H21ClN4O3S/c1-3-12(2)13-4-7-15(8-5-13)26-19(28)16-9-6-14(22)10-17(16)24-21(26)30-11-18(27)25-20(23)29/h4-10,12H,3,11H2,1-2H3,(H3,23,25,27,29)