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

Systemtic Name: 2-(1-adamantyl)-N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[4-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[4-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]acetamide Formula: C29H33N3O2S MolecularWeight: 487.65622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33N3O2S/c1-17(2)22-5-8-25-24(12-22)31-27(34-25)21-3-6-23(7-4-21)30-28(35)32-26(33)16-29-13-18-9-19(14-29)11-20(10-18)15-29/h3-8,12,17-20H,9-11,13-16H2,1-2H3,(H2,30,32,33,35)