4-[2-(1-adamantyl)ethanoylcarbamothioylamino]-2-chloranyl-benzoic acid

Systemtic Name: 4-[2-(1-adamantyl)ethanoylcarbamothioylamino]-2-chloranyl-benzoic acid Openeye Name: 4-[[2-(1-adamantyl)acetyl]carbamothioylamino]-2-chloro-benzoic acid CAS Name: 4-[[[[2-(1-adamantyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-2-chlorobenzoic acid IUPAC Name: 4-[[2-(1-adamantyl)acetyl]carbamothioylamino]-2-chlorobenzoic acid Traditional Name: 4-[[2-(1-adamantyl)acetyl]thiocarbamoylamino]-2-chloro-benzoic acid Formula: C20H23ClN2O3S MolecularWeight: 406.92622

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC(=C(C=C4)C(=O)O)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC(=C(C=C4)C(=O)O)Cl

InChI

InChI=1S/C20H23ClN2O3S/c21-16-6-14(1-2-15(16)18(25)26)22-19(27)23-17(24)10-20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,6,11-13H,3-5,7-10H2,(H,25,26)(H2,22,23,24,27)