4-[[ethoxycarbonylcarbamothioyl(9H-fluoren-2-yl)amino]methyl]benzoic acid

Systemtic Name: 4-[[ethoxycarbonylcarbamothioyl(9H-fluoren-2-yl)amino]methyl]benzoic acid Openeye Name: 4-[[ethoxycarbonylcarbamothioyl(9H-fluoren-2-yl)amino]methyl]benzoic acid CAS Name: 4-[[[(ethoxycarbonylamino)-sulfanylidenemethyl]-(9H-fluoren-2-yl)amino]methyl]benzoic acid IUPAC Name: 4-[[ethoxycarbonylcarbamothioyl(9H-fluoren-2-yl)amino]methyl]benzoic acid Traditional Name: 4-[[carbethoxythiocarbamoyl(9H-fluoren-2-yl)amino]methyl]benzoic acid Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)N(CC1=CC=C(C=C1)C(=O)O)C2=CC3=C(C=C2)C4=CC=CC=C4C3

Isomeric SMILES

CCOC(=O)NC(=S)N(CC1=CC=C(C=C1)C(=O)O)C2=CC3=C(C=C2)C4=CC=CC=C4C3

InChI

InChI=1S/C25H22N2O4S/c1-2-31-25(30)26-24(32)27(15-16-7-9-17(10-8-16)23(28)29)20-11-12-22-19(14-20)13-18-5-3-4-6-21(18)22/h3-12,14H,2,13,15H2,1H3,(H,28,29)(H,26,30,32)