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

Systemtic Name: methyl 3-[[4-[[9H-fluoren-9-ylmethoxycarbonylcarbamothioyl(methyl)amino]methyl]phenyl]carbonylamino]propanoate Openeye Name: methyl 3-[[4-[[9H-fluoren-9-ylmethoxycarbonylcarbamothioyl(methyl)amino]methyl]benzoyl]amino]propanoate CAS Name: 3-[[[4-[[[[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-sulfanylidenemethyl]-methylamino]methyl]phenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[4-[[9H-fluoren-9-ylmethoxycarbonylcarbamothioyl(methyl)amino]methyl]benzoyl]amino]propanoate Traditional Name: 3-[[4-[[9H-fluoren-9-ylmethoxycarbonylthiocarbamoyl(methyl)amino]methyl]benzoyl]amino]propionic acid methyl ester Formula: C29H29N3O5S MolecularWeight: 531.62266

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)NCCC(=O)OC)C(=S)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)NCCC(=O)OC)C(=S)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C29H29N3O5S/c1-32(17-19-11-13-20(14-12-19)27(34)30-16-15-26(33)36-2)28(38)31-29(35)37-18-25-23-9-5-3-7-21(23)22-8-4-6-10-24(22)25/h3-14,25H,15-18H2,1-2H3,(H,30,34)(H,31,35,38)