6-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-propan-2-yl-hexanamide

Systemtic Name: 6-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-propan-2-yl-hexanamide Openeye Name: 6-(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-isopropyl-hexanamide CAS Name: 6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-propan-2-ylhexanamide IUPAC Name: 6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-propan-2-ylhexanamide Traditional Name: 6-(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-isopropyl-hexanamide Formula: C17H22BrN3O2S MolecularWeight: 412.34448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CCCCCN1C(=O)C2=C(C=CC(=C2)Br)NC1=S

Isomeric SMILES

CC(C)NC(=O)CCCCCN1C(=O)C2=C(C=CC(=C2)Br)NC1=S

InChI

InChI=1S/C17H22BrN3O2S/c1-11(2)19-15(22)6-4-3-5-9-21-16(23)13-10-12(18)7-8-14(13)20-17(21)24/h7-8,10-11H,3-6,9H2,1-2H3,(H,19,22)(H,20,24)