4-oxidanylidene-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-4-oxo-N-[[2-(1-piperidylmethyl)phenyl]methyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-N-[[2-(1-piperidinylmethyl)phenyl]methyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-[2-(piperidinomethyl)benzyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3CN4CCCCC4)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3CN4CCCCC4)NC1=S

InChI

InChI=1S/C25H28N4O2S/c1-2-12-29-24(31)21-11-10-18(15-22(21)27-25(29)32)23(30)26-16-19-8-4-5-9-20(19)17-28-13-6-3-7-14-28/h2,4-5,8-11,15H,1,3,6-7,12-14,16-17H2,(H,26,30)(H,27,32)