N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2-thienyl)cinchoninamide Formula: C26H22N4O3S2 MolecularWeight: 502.60788

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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=CS5)S2)CCOC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5)S2)CCOC

InChI

InChI=1S/C26H22N4O3S2/c1-16(31)27-17-9-10-22-24(14-17)35-26(30(22)11-12-33-2)29-25(32)19-15-21(23-8-5-13-34-23)28-20-7-4-3-6-18(19)20/h3-10,13-15H,11-12H2,1-2H3,(H,27,31)