4-oxidanylidene-3-phenethyl-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-3-phenethyl-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 4-oxo-3-phenethyl-N-(3-pyridylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-3-phenethyl-N-(3-pyridinylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-3-phenethyl-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-phenethyl-N-(3-pyridylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H20N4O2S MolecularWeight: 416.4955

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CN=CC=C4)NC2=S

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CN=CC=C4)NC2=S

InChI

InChI=1S/C23H20N4O2S/c28-21(25-15-17-7-4-11-24-14-17)18-8-9-19-20(13-18)26-23(30)27(22(19)29)12-10-16-5-2-1-3-6-16/h1-9,11,13-14H,10,12,15H2,(H,25,28)(H,26,30)