2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-cyclohexyl-4-oxidanylidene-3-pentyl-quinazoline-7-carboxamide

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-cyclohexyl-4-oxidanylidene-3-pentyl-quinazoline-7-carboxamide Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-cyclohexyl-4-oxo-3-pentyl-quinazoline-7-carboxamide CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-N-cyclohexyl-4-oxo-3-pentyl-7-quinazolinecarboxamide IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-cyclohexyl-4-oxo-3-pentylquinazoline-7-carboxamide Traditional Name: 3-amyl-2-(1H-benzimidazol-2-ylmethylthio)-N-cyclohexyl-4-keto-quinazoline-7-carboxamide Formula: C28H33N5O2S MolecularWeight: 503.65892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCCC3)N=C1SCC4=NC5=CC=CC=C5N4

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCCC3)N=C1SCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C28H33N5O2S/c1-2-3-9-16-33-27(35)21-15-14-19(26(34)29-20-10-5-4-6-11-20)17-24(21)32-28(33)36-18-25-30-22-12-7-8-13-23(22)31-25/h7-8,12-15,17,20H,2-6,9-11,16,18H2,1H3,(H,29,34)(H,30,31)