(E)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-3-thiophen-2-yl-prop-2-enamide

Systemtic Name: (E)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-benzyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(phenylmethyl)-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-benzyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-benzyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-3-(2-thienyl)acrylamide Formula: C22H18N2OS3 MolecularWeight: 422.58612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)C=CC4=CC=CS4

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)/C=C/C4=CC=CS4

InChI

InChI=1S/C22H18N2OS3/c1-26-18-9-11-19-20(14-18)28-22(23-19)24(15-16-6-3-2-4-7-16)21(25)12-10-17-8-5-13-27-17/h2-14H,15H2,1H3/b12-10+