3-[2-[4-[[1-(furan-2-ylmethyl)benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[2-[4-[[1-(furan-2-ylmethyl)benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[2-[4-[[1-(2-furylmethyl)benzimidazol-2-yl]methyl]-1-piperidyl]ethyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[2-[4-[[1-(2-furanylmethyl)-2-benzimidazolyl]methyl]-1-piperidinyl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[2-[4-[[1-(furan-2-ylmethyl)benzimidazol-2-yl]methyl]piperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[2-[4-[[1-(2-furfuryl)benzimidazol-2-yl]methyl]piperidino]ethyl]-2-thioxo-1H-quinazolin-4-one Formula: C28H29N5O2S MolecularWeight: 499.62716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=NC3=CC=CC=C3N2CC4=CC=CO4)CCN5C(=O)C6=CC=CC=C6NC5=S

Isomeric SMILES

C1CN(CCC1CC2=NC3=CC=CC=C3N2CC4=CC=CO4)CCN5C(=O)C6=CC=CC=C6NC5=S

InChI

InChI=1S/C28H29N5O2S/c34-27-22-7-1-2-8-23(22)30-28(36)32(27)16-15-31-13-11-20(12-14-31)18-26-29-24-9-3-4-10-25(24)33(26)19-21-6-5-17-35-21/h1-10,17,20H,11-16,18-19H2,(H,30,36)