2-(1-adamantyl)-N-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[2-(m-tolyl)-1,3-benzoxazol-5-yl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[2-(m-tolyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]acetamide Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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