ethyl 4-[[4-[[3-[[[4-[(4-ethoxycarbonylphenyl)carbamoyl]phenyl]amino]methyl]-2-sulfanylidene-benzimidazol-1-yl]methylamino]phenyl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[4-[[3-[[[4-[(4-ethoxycarbonylphenyl)carbamoyl]phenyl]amino]methyl]-2-sulfanylidene-benzimidazol-1-yl]methylamino]phenyl]carbonylamino]benzoate Openeye Name: ethyl 4-[[4-[[3-[[4-[(4-ethoxycarbonylphenyl)carbamoyl]anilino]methyl]-2-thioxo-benzimidazol-1-yl]methylamino]benzoyl]amino]benzoate CAS Name: 4-[[[4-[[3-[[4-[(4-ethoxycarbonylanilino)-oxomethyl]anilino]methyl]-2-sulfanylidene-1-benzimidazolyl]methylamino]phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[[3-[[4-[(4-ethoxycarbonylphenyl)carbamoyl]anilino]methyl]-2-sulfanylidenebenzimidazol-1-yl]methylamino]benzoyl]amino]benzoate Traditional Name: 4-[[4-[[3-[[4-[(4-carbethoxyphenyl)carbamoyl]anilino]methyl]-2-thioxo-benzimidazol-1-yl]methylamino]benzoyl]amino]benzoic acid ethyl ester Formula: C41H38N6O6S MolecularWeight: 742.84202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NCN3C4=CC=CC=C4N(C3=S)CNC5=CC=C(C=C5)C(=O)NC6=CC=C(C=C6)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NCN3C4=CC=CC=C4N(C3=S)CNC5=CC=C(C=C5)C(=O)NC6=CC=C(C=C6)C(=O)OCC

InChI

InChI=1S/C41H38N6O6S/c1-3-52-39(50)29-13-21-33(22-14-29)44-37(48)27-9-17-31(18-10-27)42-25-46-35-7-5-6-8-36(35)47(41(46)54)26-43-32-19-11-28(12-20-32)38(49)45-34-23-15-30(16-24-34)40(51)53-4-2/h5-24,42-43H,3-4,25-26H2,1-2H3,(H,44,48)(H,45,49)