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

Systemtic Name: 4-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2-diethylaminoethyl)butanamide Openeye Name: 4-(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-(2-diethylaminoethyl)butanamide CAS Name: 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2-diethylaminoethyl)butanamide IUPAC Name: 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2-diethylaminoethyl)butanamide Traditional Name: 4-(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(2-diethylaminoethyl)butyramide Formula: C18H25BrN4O2S MolecularWeight: 441.3857

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25BrN4O2S/c1-3-22(4-2)11-9-20-16(24)6-5-10-23-17(25)14-12-13(19)7-8-15(14)21-18(23)26/h7-8,12H,3-6,9-11H2,1-2H3,(H,20,24)(H,21,26)