7-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]carbonyl-3-(4-fluorophenyl)-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]carbonyl-3-(4-fluorophenyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-3-(4-fluorophenyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[[3-(1H-benzimidazol-2-yl)-1-piperidinyl]-oxomethyl]-3-(4-fluorophenyl)-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-3-(4-fluorophenyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-3-(4-fluorophenyl)-2-thioxo-1H-quinazolin-4-one Formula: C27H22FN5O2S MolecularWeight: 499.559283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=C(C=C4)F)C5=NC6=CC=CC=C6N5

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=C(C=C4)F)C5=NC6=CC=CC=C6N5

InChI

InChI=1S/C27H22FN5O2S/c28-18-8-10-19(11-9-18)33-26(35)20-12-7-16(14-23(20)31-27(33)36)25(34)32-13-3-4-17(15-32)24-29-21-5-1-2-6-22(21)30-24/h1-2,5-12,14,17H,3-4,13,15H2,(H,29,30)(H,31,36)