2-[3-[(2-chlorophenyl)methylamino]-3-oxidanylidene-propyl]sulfanylquinoline-4-carboxamide

Systemtic Name: 2-[3-[(2-chlorophenyl)methylamino]-3-oxidanylidene-propyl]sulfanylquinoline-4-carboxamide Openeye Name: 2-[3-[(2-chlorophenyl)methylamino]-3-oxo-propyl]sulfanylquinoline-4-carboxamide CAS Name: 2-[[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]thio]-4-quinolinecarboxamide IUPAC Name: 2-[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]sulfanylquinoline-4-carboxamide Traditional Name: 2-[[3-[(2-chlorobenzyl)amino]-3-keto-propyl]thio]cinchoninamide Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)CCSC2=NC3=CC=CC=C3C(=C2)C(=O)N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)CCSC2=NC3=CC=CC=C3C(=C2)C(=O)N)Cl

InChI

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