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

Systemtic Name: 4-oxidanylidene-N-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 4-oxo-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-N-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-[4-(pyrrolidine-1-carbonyl)benzyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H20N4O3S MolecularWeight: 408.4735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)CNC(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)CNC(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

InChI

InChI=1S/C21H20N4O3S/c26-18(15-7-8-16-17(11-15)23-21(29)24-19(16)27)22-12-13-3-5-14(6-4-13)20(28)25-9-1-2-10-25/h3-8,11H,1-2,9-10,12H2,(H,22,26)(H2,23,24,27,29)