(2S)-2-[3-[(2R)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: (2S)-2-[3-[(2R)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: (2S)-N-(2-methoxy-5-nitro-phenyl)-2-[3-[(1R)-1-methylpropyl]-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2S)-2-[[3-[(2R)-butan-2-yl]-4-oxo-2-quinazolinyl]thio]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: (2S)-2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: (2S)-2-[[4-keto-3-[(1R)-1-methylpropyl]quinazolin-2-yl]thio]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC[C@@H](C)N1C(=O)C2=CC=CC=C2N=C1S[C@@H](C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H24N4O5S/c1-5-13(2)25-21(28)16-8-6-7-9-17(16)24-22(25)32-14(3)20(27)23-18-12-15(26(29)30)10-11-19(18)31-4/h6-14H,5H2,1-4H3,(H,23,27)/t13-,14+/m1/s1