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

Systemtic Name: 2-(1-adamantyl)-N-[[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[5-(5-isopropyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[5-(5-isopropyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]thiocarbamoyl]acetamide Formula: C30H35N3O3S MolecularWeight: 517.6822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H35N3O3S/c1-17(2)21-4-7-26-24(11-21)31-28(36-26)22-5-6-25(35-3)23(12-22)32-29(37)33-27(34)16-30-13-18-8-19(14-30)10-20(9-18)15-30/h4-7,11-12,17-20H,8-10,13-16H2,1-3H3,(H2,32,33,34,37)