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

Systemtic Name: 4-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(4-chlorophenyl)ethyl]butanamide Openeye Name: 4-(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-[2-(4-chlorophenyl)ethyl]butanamide CAS Name: 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(4-chlorophenyl)ethyl]butanamide IUPAC Name: 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(4-chlorophenyl)ethyl]butanamide Traditional Name: 4-(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-[2-(4-chlorophenyl)ethyl]butyramide Formula: C20H19BrClN3O2S MolecularWeight: 480.80576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)CCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S)Cl

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)CCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S)Cl

InChI

InChI=1S/C20H19BrClN3O2S/c21-14-5-8-17-16(12-14)19(27)25(20(28)24-17)11-1-2-18(26)23-10-9-13-3-6-15(22)7-4-13/h3-8,12H,1-2,9-11H2,(H,23,26)(H,24,28)