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

Systemtic Name: 2-(1-adamantyl)-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[2-(4-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[2-(4-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=CC=NC=C6

Isomeric SMILES

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

InChI

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