4-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]butanamide

Systemtic Name: 4-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]butanamide Openeye Name: 4-(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]butanamide CAS Name: 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[3-[4-(2-fluorophenyl)-1-piperazinyl]propyl]butanamide IUPAC Name: 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]butanamide Traditional Name: 4-(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-[3-[4-(2-fluorophenyl)piperazino]propyl]butyramide Formula: C25H29BrFN5O2S MolecularWeight: 562.497463

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC(=O)CCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CCN1CCCNC(=O)CCCN2C(=O)C3=C(C=CC(=C3)Br)NC2=S)C4=CC=CC=C4F

InChI

InChI=1S/C25H29BrFN5O2S/c26-18-8-9-21-19(17-18)24(34)32(25(35)29-21)12-3-7-23(33)28-10-4-11-30-13-15-31(16-14-30)22-6-2-1-5-20(22)27/h1-2,5-6,8-9,17H,3-4,7,10-16H2,(H,28,33)(H,29,35)