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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H18ClN3O2S/c21-15-6-3-13(4-7-15)12-24-19(26)16-8-5-14(11-17(16)22-20(24)27)18(25)23-9-1-2-10-23/h3-8,11H,1-2,9-10,12H2,(H,22,27)