3-[5-(cyanomethylsulfanyl)-3-oxidanylidene-2H-imidazo[1,2-c]quinazolin-2-yl]-N-phenethyl-propanamide

Systemtic Name: 3-[5-(cyanomethylsulfanyl)-3-oxidanylidene-2H-imidazo[1,2-c]quinazolin-2-yl]-N-phenethyl-propanamide Openeye Name: 3-[5-(cyanomethylsulfanyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-phenethyl-propanamide CAS Name: 3-[5-(cyanomethylthio)-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-phenethylpropanamide IUPAC Name: 3-[5-(cyanomethylsulfanyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-phenethylpropanamide Traditional Name: 3-[5-(cyanomethylthio)-3-keto-2H-imidazo[1,2-c]quinazolin-2-yl]-N-phenethyl-propionamide Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CCC2C(=O)N3C(=N2)C4=CC=CC=C4N=C3SCC#N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CCC2C(=O)N3C(=N2)C4=CC=CC=C4N=C3SCC#N

InChI

InChI=1S/C23H21N5O2S/c24-13-15-31-23-27-18-9-5-4-8-17(18)21-26-19(22(30)28(21)23)10-11-20(29)25-14-12-16-6-2-1-3-7-16/h1-9,19H,10-12,14-15H2,(H,25,29)