N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methyl-6-methylsulfanyl-2-thiophen-2-yl-pyrimidine-5-carboxamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methyl-6-methylsulfanyl-2-thiophen-2-yl-pyrimidine-5-carboxamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methyl-6-methylsulfanyl-2-(2-thienyl)pyrimidine-5-carboxamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methyl-6-(methylthio)-2-thiophen-2-yl-5-pyrimidinecarboxamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methyl-6-(methylthio)-2-(2-thienyl)pyrimidine-5-carboxamide Formula: C20H18N4O2S3 MolecularWeight: 442.57752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(N=C(N=C3SC)C4=CC=CS4)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(N=C(N=C3SC)C4=CC=CS4)C

InChI

InChI=1S/C20H18N4O2S3/c1-4-26-12-7-8-13-15(10-12)29-20(22-13)24-18(25)16-11(2)21-17(23-19(16)27-3)14-6-5-9-28-14/h5-10H,4H2,1-3H3,(H,22,24,25)