2-[[2-oxidanylidene-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[2-oxidanylidene-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[2-oxo-1-(3-pyridylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[2-oxo-1-(3-pyridinylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[2-oxo-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[2-keto-1-(3-pyridylmethyl)-5,6,7,8-tetrahydroquinazolin-4-yl]thio]-N-phenyl-acetamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NC(=O)N2CC3=CN=CC=C3)SCC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=NC(=O)N2CC3=CN=CC=C3)SCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O2S/c27-20(24-17-8-2-1-3-9-17)15-29-21-18-10-4-5-11-19(18)26(22(28)25-21)14-16-7-6-12-23-13-16/h1-3,6-9,12-13H,4-5,10-11,14-15H2,(H,24,27)