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

Systemtic Name: 2-(1-adamantyl)-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[[2-(3-pyridinyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]acetamide Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC5=C(C=C4)OC(=N5)C6=CN=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC5=C(C=C4)OC(=N5)C6=CN=CC=C6

InChI

InChI=1S/C25H26N4O2S/c30-22(13-25-10-15-6-16(11-25)8-17(7-15)12-25)29-24(32)27-19-3-4-21-20(9-19)28-23(31-21)18-2-1-5-26-14-18/h1-5,9,14-17H,6-8,10-13H2,(H2,27,29,30,32)