N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanamide Openeye Name: N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide CAS Name: N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-2-[(4-oxo-1H-quinazolin-2-yl)thio]acetamide IUPAC Name: N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide Traditional Name: 2-[(4-keto-1H-quinazolin-2-yl)thio]-N-(4-methoxy-3-piperidinosulfonyl-phenyl)acetamide Formula: C22H24N4O5S2 MolecularWeight: 488.57976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H24N4O5S2/c1-31-18-10-9-15(13-19(18)33(29,30)26-11-5-2-6-12-26)23-20(27)14-32-22-24-17-8-4-3-7-16(17)21(28)25-22/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,23,27)(H,24,25,28)