2-(1-adamantyl)-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[4-(4-chlorophenyl)thiazol-2-yl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[[4-(4-chlorophenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[4-(4-chlorophenyl)thiazol-2-yl]thiocarbamoyl]acetamide Formula: C22H24ClN3OS2 MolecularWeight: 446.02846

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=NC(=CS4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=NC(=CS4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H24ClN3OS2/c23-17-3-1-16(2-4-17)18-12-29-21(24-18)26-20(28)25-19(27)11-22-8-13-5-14(9-22)7-15(6-13)10-22/h1-4,12-15H,5-11H2,(H2,24,25,26,27,28)