3-[[[4-(diethylcarbamoselenoyl)phenyl]carbonylamino]methylamino]-5-(2-sulfanylidene-1H-imidazol-3-yl)benzoic acid

Systemtic Name: 3-[[[4-(diethylcarbamoselenoyl)phenyl]carbonylamino]methylamino]-5-(2-sulfanylidene-1H-imidazol-3-yl)benzoic acid Openeye Name: 3-[[[4-(diethylcarbamoselenoyl)benzoyl]amino]methylamino]-5-(2-thioxo-1H-imidazol-3-yl)benzoic acid CAS Name: 3-[[[[4-[diethylamino(selanylidene)methyl]phenyl]-oxomethyl]amino]methylamino]-5-(2-sulfanylidene-1H-imidazol-3-yl)benzoic acid IUPAC Name: 3-[[[4-(diethylcarbamoselenoyl)benzoyl]amino]methylamino]-5-(2-sulfanylidene-1H-imidazol-3-yl)benzoic acid Traditional Name: 3-[[[4-(diethylselenocarbamoyl)benzoyl]amino]methylamino]-5-(2-thioxo-4-imidazolin-1-yl)benzoic acid Formula: C23H25N5O3SSe MolecularWeight: 530.5013

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=[Se])C1=CC=C(C=C1)C(=O)NCNC2=CC(=CC(=C2)N3C=CNC3=S)C(=O)O

Isomeric SMILES

CCN(CC)C(=[Se])C1=CC=C(C=C1)C(=O)NCNC2=CC(=CC(=C2)N3C=CNC3=S)C(=O)O

InChI

InChI=1S/C23H25N5O3SSe/c1-3-27(4-2)21(33)16-7-5-15(6-8-16)20(29)26-14-25-18-11-17(22(30)31)12-19(13-18)28-10-9-24-23(28)32/h5-13,25H,3-4,14H2,1-2H3,(H,24,32)(H,26,29)(H,30,31)