3-methyl-4-oxidanylidene-N-(2-piperidin-1-ylphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-N-(2-piperidin-1-ylphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-methyl-4-oxo-N-[2-(1-piperidyl)phenyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-methyl-4-oxo-N-[2-(1-piperidinyl)phenyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-methyl-4-oxo-N-(2-piperidin-1-ylphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-methyl-N-(2-piperidinophenyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3N4CCCCC4)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3N4CCCCC4)NC1=S

InChI

InChI=1S/C21H22N4O2S/c1-24-20(27)15-10-9-14(13-17(15)23-21(24)28)19(26)22-16-7-3-4-8-18(16)25-11-5-2-6-12-25/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,22,26)(H,23,28)