(2R)-N-(2-chloranyl-4-nitro-phenyl)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)SC2=NC3=CC=CC=C3C(=O)N2CC(C)C

InChI

InChI=1S/C21H21ClN4O4S/c1-12(2)11-25-20(28)15-6-4-5-7-17(15)24-21(25)31-13(3)19(27)23-18-9-8-14(26(29)30)10-16(18)22/h4-10,12-13H,11H2,1-3H3,(H,23,27)/t13-/m1/s1