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

Systemtic Name: N-methyl-4-oxidanylidene-N-[(4-piperidin-1-ylphenyl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-methyl-4-oxo-N-[[4-(1-piperidyl)phenyl]methyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-methyl-4-oxo-N-[[4-(1-piperidinyl)phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-methyl-4-oxo-N-[(4-piperidin-1-ylphenyl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-methyl-N-(4-piperidinobenzyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)N2CCCCC2)C(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

Isomeric SMILES

CN(CC1=CC=C(C=C1)N2CCCCC2)C(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

InChI

InChI=1S/C22H24N4O2S/c1-25(14-15-5-8-17(9-6-15)26-11-3-2-4-12-26)21(28)16-7-10-18-19(13-16)23-22(29)24-20(18)27/h5-10,13H,2-4,11-12,14H2,1H3,(H2,23,24,27,29)