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

Systemtic Name: 7-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[oxo-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-[4-(2-keto-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)C4=CC5=C(C=C4)C(=O)NC(=S)N5

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)C4=CC5=C(C=C4)C(=O)NC(=S)N5

InChI

InChI=1S/C21H19N5O3S/c27-18-14-6-5-12(11-16(14)22-20(30)24-18)19(28)25-9-7-13(8-10-25)26-17-4-2-1-3-15(17)23-21(26)29/h1-6,11,13H,7-10H2,(H,23,29)(H2,22,24,27,30)