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

Systemtic Name: 4-oxidanylidene-3-prop-2-enyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-4-oxo-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-3-prop-2-enyl-N-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-3-prop-2-enyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-[2-(pyrrolidinomethyl)benzyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C24H26N4O2S MolecularWeight: 434.55384

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3CN4CCCC4)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3CN4CCCC4)NC1=S

InChI

InChI=1S/C24H26N4O2S/c1-2-11-28-23(30)20-10-9-17(14-21(20)26-24(28)31)22(29)25-15-18-7-3-4-8-19(18)16-27-12-5-6-13-27/h2-4,7-10,14H,1,5-6,11-13,15-16H2,(H,25,29)(H,26,31)