N-(2-dimethylaminoethyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(2-dimethylaminoethyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(2-dimethylaminoethyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(2-dimethylaminoethyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(2-thienyl)cinchoninamide Formula: C27H26N4OS2 MolecularWeight: 486.65154

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CCN(C)C)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CCN(C)C)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C27H26N4OS2/c1-4-18-11-12-22-25(16-18)34-27(29-22)31(14-13-30(2)3)26(32)20-17-23(24-10-7-15-33-24)28-21-9-6-5-8-19(20)21/h5-12,15-17H,4,13-14H2,1-3H3