5-(1H-benzimidazol-2-ylmethyl)-1-(furan-2-ylmethyl)-3-(1-piperidin-1-ylethyl)-2-sulfanylidene-quinazolin-4-one

Systemtic Name: 5-(1H-benzimidazol-2-ylmethyl)-1-(furan-2-ylmethyl)-3-(1-piperidin-1-ylethyl)-2-sulfanylidene-quinazolin-4-one Openeye Name: 5-(1H-benzimidazol-2-ylmethyl)-1-(2-furylmethyl)-3-[1-(1-piperidyl)ethyl]-2-thioxo-quinazolin-4-one CAS Name: 5-(1H-benzimidazol-2-ylmethyl)-1-(2-furanylmethyl)-3-[1-(1-piperidinyl)ethyl]-2-sulfanylidene-4-quinazolinone IUPAC Name: 5-(1H-benzimidazol-2-ylmethyl)-1-(furan-2-ylmethyl)-3-(1-piperidin-1-ylethyl)-2-sulfanylidenequinazolin-4-one Traditional Name: 5-(1H-benzimidazol-2-ylmethyl)-1-(2-furfuryl)-3-(1-piperidinoethyl)-2-thioxo-quinazolin-4-one Formula: C28H29N5O2S MolecularWeight: 499.62716

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1CCCCC1)N2C(=O)C3=C(C=CC=C3N(C2=S)CC4=CC=CO4)CC5=NC6=CC=CC=C6N5

Isomeric SMILES

CC(N1CCCCC1)N2C(=O)C3=C(C=CC=C3N(C2=S)CC4=CC=CO4)CC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C28H29N5O2S/c1-19(31-14-5-2-6-15-31)33-27(34)26-20(17-25-29-22-11-3-4-12-23(22)30-25)9-7-13-24(26)32(28(33)36)18-21-10-8-16-35-21/h3-4,7-13,16,19H,2,5-6,14-15,17-18H2,1H3,(H,29,30)