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

Systemtic Name: N-aminocarbonyl-3-[3-(4-butan-2-ylphenyl)-7-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-carbamoyl-3-[7-chloro-4-oxo-3-(4-sec-butylphenyl)quinazolin-2-yl]sulfanyl-propanamide CAS Name: 3-[[3-(4-butan-2-ylphenyl)-7-chloro-4-oxo-2-quinazolinyl]thio]-N-carbamoylpropanamide IUPAC Name: 3-[3-(4-butan-2-ylphenyl)-7-chloro-4-oxoquinazolin-2-yl]sulfanyl-N-carbamoylpropanamide Traditional Name: N-carbamoyl-3-[[7-chloro-4-keto-3-(4-sec-butylphenyl)quinazolin-2-yl]thio]propionamide Formula: C22H23ClN4O3S MolecularWeight: 458.96102

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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=C2SCCC(=O)NC(=O)N

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCCC(=O)NC(=O)N

InChI

InChI=1S/C22H23ClN4O3S/c1-3-13(2)14-4-7-16(8-5-14)27-20(29)17-9-6-15(23)12-18(17)25-22(27)31-11-10-19(28)26-21(24)30/h4-9,12-13H,3,10-11H2,1-2H3,(H3,24,26,28,30)