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

Systemtic Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenyl-quinoline-4-carboxamide Openeye Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenyl-quinoline-4-carboxamide CAS Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenylquinoline-4-carboxamide Traditional Name: N-(6-ethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-2-phenyl-cinchoninamide Formula: C28H21N3O2S MolecularWeight: 463.55024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5)S2)CC#C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5)S2)CC#C

InChI

InChI=1S/C28H21N3O2S/c1-3-16-31-25-15-14-20(33-4-2)17-26(25)34-28(31)30-27(32)22-18-24(19-10-6-5-7-11-19)29-23-13-9-8-12-21(22)23/h1,5-15,17-18H,4,16H2,2H3