3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(1-pyridin-4-ylethyl)propanamide

Systemtic Name: 3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(1-pyridin-4-ylethyl)propanamide Openeye Name: 3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-[1-(4-pyridyl)ethyl]propanamide CAS Name: 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(1-pyridin-4-ylethyl)propanamide IUPAC Name: 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(1-pyridin-4-ylethyl)propanamide Traditional Name: 3-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-[1-(4-pyridyl)ethyl]propionamide Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=NC=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CC(C1=CC=NC=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C18H18N4O2S/c1-12(13-6-9-19-10-7-13)20-16(23)8-11-22-17(24)14-4-2-3-5-15(14)21-18(22)25/h2-7,9-10,12H,8,11H2,1H3,(H,20,23)(H,21,25)