(2S)-2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide

Systemtic Name: (2S)-2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide Openeye Name: (2S)-2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-(isopropylcarbamoyl)propanamide CAS Name: (2S)-2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-[oxo-(propan-2-ylamino)methyl]propanamide IUPAC Name: (2S)-2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide Traditional Name: (2S)-2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]-N-(isopropylcarbamoyl)propionamide Formula: C18H21ClN4O3S MolecularWeight: 408.90234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)SC1=NC2=C(C=C(C=C2)Cl)C(=O)N1CC=C

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)C)SC1=NC2=C(C=C(C=C2)Cl)C(=O)N1CC=C

InChI

InChI=1S/C18H21ClN4O3S/c1-5-8-23-16(25)13-9-12(19)6-7-14(13)21-18(23)27-11(4)15(24)22-17(26)20-10(2)3/h5-7,9-11H,1,8H2,2-4H3,(H2,20,22,24,26)/t11-/m0/s1