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

Systemtic Name: 2-(1-adamantyl)-N-[[2-methyl-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-methyl-phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[2-methyl-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-methyl-phenyl]thiocarbamoyl]acetamide Formula: C30H35N3O2S MolecularWeight: 501.6828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C(C)C)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C(C)C)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H35N3O2S/c1-17(2)22-6-7-26-25(11-22)31-28(35-26)23-5-4-18(3)24(12-23)32-29(36)33-27(34)16-30-13-19-8-20(14-30)10-21(9-19)15-30/h4-7,11-12,17,19-21H,8-10,13-16H2,1-3H3,(H2,32,33,34,36)