N-[(3-chlorophenyl)methyl]-2-thiomorpholin-4-yl-quinoline-4-carboxamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-2-thiomorpholin-4-yl-quinoline-4-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-2-thiomorpholino-quinoline-4-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-2-thiomorpholin-4-yl-4-quinolinecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-2-thiomorpholin-4-ylquinoline-4-carboxamide Traditional Name: N-(3-chlorobenzyl)-2-thiomorpholino-cinchoninamide Formula: C21H20ClN3OS MolecularWeight: 397.921

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CSCCN1C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H20ClN3OS/c22-16-5-3-4-15(12-16)14-23-21(26)18-13-20(25-8-10-27-11-9-25)24-19-7-2-1-6-17(18)19/h1-7,12-13H,8-11,14H2,(H,23,26)