ethyl 4-[(1-adamantylcarbonylamino)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(1-adamantylcarbonylamino)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(adamantane-1-carbonylamino)carbamothioylamino]benzoate CAS Name: 4-[[[[1-adamantyl(oxo)methyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(adamantane-1-carbonylamino)carbamothioylamino]benzoate Traditional Name: 4-[(adamantane-1-carbonylamino)thiocarbamoylamino]benzoic acid ethyl ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H27N3O3S/c1-2-27-18(25)16-3-5-17(6-4-16)22-20(28)24-23-19(26)21-10-13-7-14(11-21)9-15(8-13)12-21/h3-6,13-15H,2,7-12H2,1H3,(H,23,26)(H2,22,24,28)