N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide

Systemtic Name: N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide Openeye Name: N-[(4-oxo-1H-quinazolin-2-yl)methyl]-N-(2-thienylmethyl)adamantane-1-carboxamide CAS Name: N-[(4-oxo-1H-quinazolin-2-yl)methyl]-N-(thiophen-2-ylmethyl)-1-adamantanecarboxamide IUPAC Name: N-[(4-oxo-1H-quinazolin-2-yl)methyl]-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide Traditional Name: N-[(4-keto-1H-quinazolin-2-yl)methyl]-N-(2-thenyl)adamantane-1-carboxamide Formula: C25H27N3O2S MolecularWeight: 433.56578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)N(CC4=CC=CS4)CC5=NC(=O)C6=CC=CC=C6N5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)N(CC4=CC=CS4)CC5=NC(=O)C6=CC=CC=C6N5

InChI

InChI=1S/C25H27N3O2S/c29-23-20-5-1-2-6-21(20)26-22(27-23)15-28(14-19-4-3-7-31-19)24(30)25-11-16-8-17(12-25)10-18(9-16)13-25/h1-7,16-18H,8-15H2,(H,26,27,29)