4-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[(2S)-butan-2-yl]butanamide

Systemtic Name: 4-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[(2S)-butan-2-yl]butanamide Openeye Name: 4-(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-[(1S)-1-methylpropyl]butanamide CAS Name: 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[(2S)-butan-2-yl]butanamide IUPAC Name: 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[(2S)-butan-2-yl]butanamide Traditional Name: 4-(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-[(1S)-1-methylpropyl]butyramide Formula: C16H20BrN3O2S MolecularWeight: 398.3179

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CCCN1C(=O)C2=C(C=CC(=C2)Br)NC1=S

Isomeric SMILES

CC[C@H](C)NC(=O)CCCN1C(=O)C2=C(C=CC(=C2)Br)NC1=S

InChI

InChI=1S/C16H20BrN3O2S/c1-3-10(2)18-14(21)5-4-8-20-15(22)12-9-11(17)6-7-13(12)19-16(20)23/h6-7,9-10H,3-5,8H2,1-2H3,(H,18,21)(H,19,23)/t10-/m0/s1