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

Systemtic Name: 1-[[3-[(2-methoxyphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl]piperidine-4-carboxamide Openeye Name: 1-[3-[(2-methoxyphenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-(4-keto-3-o-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=CC=C1CN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC(CC4)C(=O)N)NC2=S

Isomeric SMILES

COC1=CC=CC=C1CN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC(CC4)C(=O)N)NC2=S

InChI

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