(2S)-2-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methylpropylcarbamoyl)propanamide

Systemtic Name: (2S)-2-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methylpropylcarbamoyl)propanamide Openeye Name: (2S)-2-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(isobutylcarbamoyl)propanamide CAS Name: (2S)-2-[[3-(3-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-N-[(2-methylpropylamino)-oxomethyl]propanamide IUPAC Name: (2S)-2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylpropylcarbamoyl)propanamide Traditional Name: (2S)-2-[[3-(3-chlorophenyl)-4-keto-quinazolin-2-yl]thio]-N-(isobutylcarbamoyl)propionamide Formula: C22H23ClN4O3S MolecularWeight: 458.96102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)Cl

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NCC(C)C)SC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H23ClN4O3S/c1-13(2)12-24-21(30)26-19(28)14(3)31-22-25-18-10-5-4-9-17(18)20(29)27(22)16-8-6-7-15(23)11-16/h4-11,13-14H,12H2,1-3H3,(H2,24,26,28,30)/t14-/m0/s1