4-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3-methylbutyl)butanamide

Systemtic Name: 4-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3-methylbutyl)butanamide Openeye Name: 4-(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-isopentyl-butanamide CAS Name: 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3-methylbutyl)butanamide IUPAC Name: 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3-methylbutyl)butanamide Traditional Name: 4-(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-isoamyl-butyramide Formula: C17H22BrN3O2S MolecularWeight: 412.34448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CCCN1C(=O)C2=C(C=CC(=C2)Br)NC1=S

Isomeric SMILES

CC(C)CCNC(=O)CCCN1C(=O)C2=C(C=CC(=C2)Br)NC1=S

InChI

InChI=1S/C17H22BrN3O2S/c1-11(2)7-8-19-15(22)4-3-9-21-16(23)13-10-12(18)5-6-14(13)20-17(21)24/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,19,22)(H,20,24)