N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(3-allyl-6-ethoxy-1,3-benzothiazol-2-ylidene)-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(3-allyl-6-ethoxy-1,3-benzothiazol-2-ylidene)-2-(2-thienyl)cinchoninamide Formula: C26H21N3O2S2 MolecularWeight: 471.59384

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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=CS5)S2)CC=C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5)S2)CC=C

InChI

InChI=1S/C26H21N3O2S2/c1-3-13-29-22-12-11-17(31-4-2)15-24(22)33-26(29)28-25(30)19-16-21(23-10-7-14-32-23)27-20-9-6-5-8-18(19)20/h3,5-12,14-16H,1,4,13H2,2H3