N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenyl-quinoline-4-carboxamide Openeye Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenyl-quinoline-4-carboxamide CAS Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenylquinoline-4-carboxamide Traditional Name: N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)-2-phenyl-cinchoninamide Formula: C28H20N4O2S MolecularWeight: 476.549

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5)S2)CC#C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5)S2)CC#C

InChI

InChI=1S/C28H20N4O2S/c1-3-15-32-25-14-13-20(29-18(2)33)16-26(25)35-28(32)31-27(34)22-17-24(19-9-5-4-6-10-19)30-23-12-8-7-11-21(22)23/h1,4-14,16-17H,15H2,2H3,(H,29,33)