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

Systemtic Name: 4-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-cycloheptyl-butanamide Openeye Name: 4-(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-cycloheptyl-butanamide CAS Name: 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-cycloheptylbutanamide IUPAC Name: 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-cycloheptylbutanamide Traditional Name: 4-(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-cycloheptyl-butyramide Formula: C19H24BrN3O2S MolecularWeight: 438.38176

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)CCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S

Isomeric SMILES

C1CCCC(CC1)NC(=O)CCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S

InChI

InChI=1S/C19H24BrN3O2S/c20-13-9-10-16-15(12-13)18(25)23(19(26)22-16)11-5-8-17(24)21-14-6-3-1-2-4-7-14/h9-10,12,14H,1-8,11H2,(H,21,24)(H,22,26)