N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-phenylquinoline-4-carboxamide Traditional Name: N-[3-(2-ethoxyethyl)-6-mesyl-1,3-benzothiazol-2-ylidene]-2-phenyl-cinchoninamide Formula: C28H25N3O4S2 MolecularWeight: 531.6458

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C28H25N3O4S2/c1-3-35-16-15-31-25-14-13-20(37(2,33)34)17-26(25)36-28(31)30-27(32)22-18-24(19-9-5-4-6-10-19)29-23-12-8-7-11-21(22)23/h4-14,17-18H,3,15-16H2,1-2H3