2-(1H-benzimidazol-2-ylsulfanyl)-N-(4,7,7-trimethyl-5-oxidanylidene-6,8-dihydroquinazolin-2-yl)ethanamide

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4,7,7-trimethyl-5-oxidanylidene-6,8-dihydroquinazolin-2-yl)ethanamide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide CAS Name: 2-(1H-benzimidazol-2-ylthio)-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4,7,7-trimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)acetamide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-N-(5-keto-4,7,7-trimethyl-6,8-dihydroquinazolin-2-yl)acetamide Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C(=O)CC(C2)(C)C)NC(=O)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=NC(=NC2=C1C(=O)CC(C2)(C)C)NC(=O)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H21N5O2S/c1-11-17-14(8-20(2,3)9-15(17)26)22-18(21-11)25-16(27)10-28-19-23-12-6-4-5-7-13(12)24-19/h4-7H,8-10H2,1-3H3,(H,23,24)(H,21,22,25,27)