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

Systemtic Name: N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenyl-quinoline-4-carboxamide Openeye Name: N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenyl-quinoline-4-carboxamide CAS Name: N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenylquinoline-4-carboxamide Traditional Name: N-(6-mesyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenyl-cinchoninamide Formula: C27H23N3O3S2 MolecularWeight: 501.61982

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CCCN1C2=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/C27H23N3O3S2/c1-3-15-30-24-14-13-19(35(2,32)33)16-25(24)34-27(30)29-26(31)21-17-23(18-9-5-4-6-10-18)28-22-12-8-7-11-20(21)22/h4-14,16-17H,3,15H2,1-2H3