2-(1-adamantyl)-N-[[2-(2-chloranyl-4-methyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[2-(2-chloranyl-4-methyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[2-(2-chloro-4-methyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[2-(2-chloro-4-methyl-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]acetamide Formula: C27H28ClN3O2S MolecularWeight: 494.04812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5)Cl

InChI

InChI=1S/C27H28ClN3O2S/c1-15-2-4-20(21(28)6-15)25-30-22-10-19(3-5-23(22)33-25)29-26(34)31-24(32)14-27-11-16-7-17(12-27)9-18(8-16)13-27/h2-6,10,16-18H,7-9,11-14H2,1H3,(H2,29,31,32,34)