3-[(2-chlorophenyl)methyl]-7-pyrrolidin-1-ylcarbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[(2-chlorophenyl)methyl]-7-pyrrolidin-1-ylcarbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[(2-chlorophenyl)methyl]-7-(pyrrolidine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[(2-chlorophenyl)methyl]-7-[oxo(1-pyrrolidinyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[(2-chlorophenyl)methyl]-7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(2-chlorobenzyl)-7-(pyrrolidine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C20H18ClN3O2S MolecularWeight: 399.89382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4Cl

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C20H18ClN3O2S/c21-16-6-2-1-5-14(16)12-24-19(26)15-8-7-13(11-17(15)22-20(24)27)18(25)23-9-3-4-10-23/h1-2,5-8,11H,3-4,9-10,12H2,(H,22,27)