N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethyl-quinoline-4-carboxamide

Systemtic Name: N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethyl-quinoline-4-carboxamide Openeye Name: N-[5-[(3,4-dichlorophenyl)methyl]thiazol-2-yl]-2-ethyl-quinoline-4-carboxamide CAS Name: N-[5-[(3,4-dichlorophenyl)methyl]-2-thiazolyl]-2-ethyl-4-quinolinecarboxamide IUPAC Name: N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethylquinoline-4-carboxamide Traditional Name: N-[5-(3,4-dichlorobenzyl)thiazol-2-yl]-2-ethyl-cinchoninamide Formula: C22H17Cl2N3OS MolecularWeight: 442.36088

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=NC=C(S3)CC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=NC=C(S3)CC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H17Cl2N3OS/c1-2-14-11-17(16-5-3-4-6-20(16)26-14)21(28)27-22-25-12-15(29-22)9-13-7-8-18(23)19(24)10-13/h3-8,10-12H,2,9H2,1H3,(H,25,27,28)