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

Systemtic Name: 2-(1-adamantyl)-N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[3-(1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]acetamide Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)C5=NC6=CC=CC=C6O5

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)C5=NC6=CC=CC=C6O5

InChI

InChI=1S/C27H29N3O2S/c1-16-20(25-28-22-6-2-3-8-23(22)32-25)5-4-7-21(16)29-26(33)30-24(31)15-27-12-17-9-18(13-27)11-19(10-17)14-27/h2-8,17-19H,9-15H2,1H3,(H2,29,30,31,33)