(2S)-2-[7-chloranyl-3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide

Systemtic Name: (2S)-2-[7-chloranyl-3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide Openeye Name: (2S)-2-[7-chloro-4-oxo-3-(p-tolyl)quinazolin-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide CAS Name: (2S)-2-[[7-chloro-3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(methylcarbamoyl)propanamide IUPAC Name: (2S)-2-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide Traditional Name: (2S)-2-[[7-chloro-4-keto-3-(p-tolyl)quinazolin-2-yl]thio]-N-(methylcarbamoyl)propionamide Formula: C20H19ClN4O3S MolecularWeight: 430.90786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SC(C)C(=O)NC(=O)NC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2S[C@@H](C)C(=O)NC(=O)NC

InChI

InChI=1S/C20H19ClN4O3S/c1-11-4-7-14(8-5-11)25-18(27)15-9-6-13(21)10-16(15)23-20(25)29-12(2)17(26)24-19(28)22-3/h4-10,12H,1-3H3,(H2,22,24,26,28)/t12-/m0/s1