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

Systemtic Name: N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(3-allyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(3-allyl-6-mesyl-1,3-benzothiazol-2-ylidene)-2-(2-thienyl)cinchoninamide Formula: C25H19N3O3S3 MolecularWeight: 505.63166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19N3O3S3/c1-3-12-28-21-11-10-16(34(2,30)31)14-23(21)33-25(28)27-24(29)18-15-20(22-9-6-13-32-22)26-19-8-5-4-7-17(18)19/h3-11,13-15H,1,12H2,2H3