methyl 3-[[4-[[[4-(cyclohexen-1-yl)phenyl]-(9H-fluoren-9-ylmethoxycarbonylcarbamothioyl)amino]methyl]phenyl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[4-[[[4-(cyclohexen-1-yl)phenyl]-(9H-fluoren-9-ylmethoxycarbonylcarbamothioyl)amino]methyl]phenyl]carbonylamino]propanoate Openeye Name: methyl 3-[[4-[[4-(cyclohexen-1-yl)-N-(9H-fluoren-9-ylmethoxycarbonylcarbamothioyl)anilino]methyl]benzoyl]amino]propanoate CAS Name: 3-[[[4-[[4-(1-cyclohexenyl)-N-[[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-sulfanylidenemethyl]anilino]methyl]phenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[4-[[4-(cyclohexen-1-yl)-N-(9H-fluoren-9-ylmethoxycarbonylcarbamothioyl)anilino]methyl]benzoyl]amino]propanoate Traditional Name: 3-[[4-[[4-(cyclohexen-1-yl)-N-(9H-fluoren-9-ylmethoxycarbonylthiocarbamoyl)anilino]methyl]benzoyl]amino]propionic acid methyl ester Formula: C40H39N3O5S MolecularWeight: 673.81976

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)C1=CC=C(C=C1)CN(C2=CC=C(C=C2)C3=CCCCC3)C(=S)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

Isomeric SMILES

COC(=O)CCNC(=O)C1=CC=C(C=C1)CN(C2=CC=C(C=C2)C3=CCCCC3)C(=S)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

InChI

InChI=1S/C40H39N3O5S/c1-47-37(44)23-24-41-38(45)30-17-15-27(16-18-30)25-43(31-21-19-29(20-22-31)28-9-3-2-4-10-28)39(49)42-40(46)48-26-36-34-13-7-5-11-32(34)33-12-6-8-14-35(33)36/h5-9,11-22,36H,2-4,10,23-26H2,1H3,(H,41,45)(H,42,46,49)