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

Systemtic Name: 4-oxidanylidene-3-propyl-N-(pyridin-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 4-oxo-3-propyl-N-(2-pyridylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-3-propyl-N-(2-pyridinylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-3-propyl-N-(pyridin-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-propyl-N-(2-pyridylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=N3)NC1=S

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=N3)NC1=S

InChI

InChI=1S/C18H18N4O2S/c1-2-9-22-17(24)14-7-6-12(10-15(14)21-18(22)25)16(23)20-11-13-5-3-4-8-19-13/h3-8,10H,2,9,11H2,1H3,(H,20,23)(H,21,25)