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

Systemtic Name: 2-(1-adamantyl)-N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[2-methyl-5-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[2-methyl-5-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]acetamide Formula: C31H37N3O2S MolecularWeight: 515.70938

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)C)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)C)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H37N3O2S/c1-4-18(2)23-7-8-27-26(12-23)32-29(36-27)24-6-5-19(3)25(13-24)33-30(37)34-28(35)17-31-14-20-9-21(15-31)11-22(10-20)16-31/h5-8,12-13,18,20-22H,4,9-11,14-17H2,1-3H3,(H2,33,34,35,37)