4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: 4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 4-[(4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]-N-(2-pyridylmethyl)benzamide CAS Name: 4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(2-pyridinylmethyl)benzamide IUPAC Name: 4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 4-[(4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]-N-(2-pyridylmethyl)benzamide Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C22H18N4O2S/c27-20(24-13-17-5-3-4-12-23-17)16-10-8-15(9-11-16)14-26-21(28)18-6-1-2-7-19(18)25-22(26)29/h1-12H,13-14H2,(H,24,27)(H,25,29)