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4-[(1-adamantylcarbamothioylamino)methyl]benzoic acid

4-[(1-adamantylcarbamothioylamino)methyl]benzoic acid

Systemtic Name:4-[(1-adamantylcarbamothioylamino)methyl]benzoic acid
Openeye Name:4-[(1-adamantylcarbamothioylamino)methyl]benzoic acid
CAS Name:4-[[[(1-adamantylamino)-sulfanylidenemethyl]amino]methyl]benzoic acid
IUPAC Name:4-[(1-adamantylcarbamothioylamino)methyl]benzoic acid
Traditional Name:4-[(1-adamantylthiocarbamoylamino)methyl]benzoic acid
Formula: C19H24N2O2S
MolecularWeight: 344.47106
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NCC4=CC=C(C=C4)C(=O)O


Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)NCC4=CC=C(C=C4)C(=O)O


InChI

InChI=1S/C19H24N2O2S/c22-17(23)16-3-1-12(2-4-16)11-20-18(24)21-19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-11H2,(H,22,23)(H2,20,21,24)


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