1-[[3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl]piperidine-4-carboxamide

Systemtic Name: 1-[[3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl]piperidine-4-carboxamide Openeye Name: 1-[3-[(4-methoxyphenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-(4-keto-3-p-anisyl-2-thioxo-1H-quinazoline-7-carbonyl)isonipecotamide Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC(CC4)C(=O)N)NC2=S

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC(CC4)C(=O)N)NC2=S

InChI

InChI=1S/C23H24N4O4S/c1-31-17-5-2-14(3-6-17)13-27-22(30)18-7-4-16(12-19(18)25-23(27)32)21(29)26-10-8-15(9-11-26)20(24)28/h2-7,12,15H,8-11,13H2,1H3,(H2,24,28)(H,25,32)