(2R)-2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-chloranyl-5-nitro-phenyl)propanamide

Systemtic Name: (2R)-2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-chloranyl-5-nitro-phenyl)propanamide Openeye Name: (2R)-2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-chloro-5-nitro-phenyl)propanamide CAS Name: (2R)-2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-(2-chloro-5-nitrophenyl)propanamide IUPAC Name: (2R)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-chloro-5-nitrophenyl)propanamide Traditional Name: (2R)-2-[(3-butyl-4-keto-quinazolin-2-yl)thio]-N-(2-chloro-5-nitro-phenyl)propionamide Formula: C21H21ClN4O4S MolecularWeight: 460.93384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H21ClN4O4S/c1-3-4-11-25-20(28)15-7-5-6-8-17(15)24-21(25)31-13(2)19(27)23-18-12-14(26(29)30)9-10-16(18)22/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,27)/t13-/m1/s1