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

Systemtic Name: 2-(1-adamantyl)-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[(2-phenyl-1,3-benzoxazol-5-yl)amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(2-phenyl-1,3-benzoxazol-5-yl)thiocarbamoyl]acetamide Formula: C26H27N3O2S MolecularWeight: 445.57648

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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=CC=C6

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O2S/c30-23(15-26-12-16-8-17(13-26)10-18(9-16)14-26)29-25(32)27-20-6-7-22-21(11-20)28-24(31-22)19-4-2-1-3-5-19/h1-7,11,16-18H,8-10,12-15H2,(H2,27,29,30,32)