N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethyl-thiophen-2-yl]-4-cyano-benzamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethyl-thiophen-2-yl]-4-cyano-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethyl-2-thienyl]-4-cyano-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethyl-2-thiophenyl]-4-cyanobenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]-4-cyanobenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethyl-2-thienyl]-4-cyano-benzamide Formula: C21H15N3OS2 MolecularWeight: 389.4933

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C2=NC3=CC=CC=C3S2)NC(=O)C4=CC=C(C=C4)C#N)C

Isomeric SMILES

CC1=C(SC(=C1C2=NC3=CC=CC=C3S2)NC(=O)C4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C21H15N3OS2/c1-12-13(2)26-21(24-19(25)15-9-7-14(11-22)8-10-15)18(12)20-23-16-5-3-4-6-17(16)27-20/h3-10H,1-2H3,(H,24,25)