(2S)-2-[3-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-cyanothiophen-2-yl)propanamide

Systemtic Name: (2S)-2-[3-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-cyanothiophen-2-yl)propanamide Openeye Name: (2S)-2-[3-(3-chloro-2-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(3-cyano-2-thienyl)propanamide CAS Name: (2S)-2-[[3-(3-chloro-2-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(3-cyano-2-thiophenyl)propanamide IUPAC Name: (2S)-2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-cyanothiophen-2-yl)propanamide Traditional Name: (2S)-2-[[3-(3-chloro-2-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]-N-(3-cyano-2-thienyl)propionamide Formula: C23H17ClN4O2S2 MolecularWeight: 480.98968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4=C(C=CS4)C#N

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2S[C@@H](C)C(=O)NC4=C(C=CS4)C#N

InChI

InChI=1S/C23H17ClN4O2S2/c1-13-17(24)7-5-9-19(13)28-22(30)16-6-3-4-8-18(16)26-23(28)32-14(2)20(29)27-21-15(12-25)10-11-31-21/h3-11,14H,1-2H3,(H,27,29)/t14-/m0/s1