ethyl 6-methyl-4-phenyl-1,3-bis[[2-(phenylmethyl)benzimidazol-1-yl]methyl]-2-sulfanylidene-4H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-methyl-4-phenyl-1,3-bis[[2-(phenylmethyl)benzimidazol-1-yl]methyl]-2-sulfanylidene-4H-pyrimidine-5-carboxylate Openeye Name: ethyl 1,3-bis[(2-benzylbenzimidazol-1-yl)methyl]-6-methyl-4-phenyl-2-thioxo-4H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-phenyl-1,3-bis[[2-(phenylmethyl)-1-benzimidazolyl]methyl]-2-sulfanylidene-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1,3-bis[(2-benzylbenzimidazol-1-yl)methyl]-6-methyl-4-phenyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate Traditional Name: 1,3-bis[(2-benzylbenzimidazol-1-yl)methyl]-6-methyl-4-phenyl-2-thioxo-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C44H40N6O2S MolecularWeight: 716.8924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)N(C1C2=CC=CC=C2)CN3C4=CC=CC=C4N=C3CC5=CC=CC=C5)CN6C7=CC=CC=C7N=C6CC8=CC=CC=C8)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N(C1C2=CC=CC=C2)CN3C4=CC=CC=C4N=C3CC5=CC=CC=C5)CN6C7=CC=CC=C7N=C6CC8=CC=CC=C8)C

InChI

InChI=1S/C44H40N6O2S/c1-3-52-43(51)41-31(2)47(29-48-37-25-15-13-23-35(37)45-39(48)27-32-17-7-4-8-18-32)44(53)50(42(41)34-21-11-6-12-22-34)30-49-38-26-16-14-24-36(38)46-40(49)28-33-19-9-5-10-20-33/h4-26,42H,3,27-30H2,1-2H3