2-(1-adamantyl)-N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]acetamide Formula: C29H33N3O2S MolecularWeight: 487.65622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(O2)C3=C(C(=CC=C3)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(O2)C3=C(C(=CC=C3)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5)C)C

InChI

InChI=1S/C29H33N3O2S/c1-16-7-17(2)26-24(8-16)30-27(34-26)22-5-4-6-23(18(22)3)31-28(35)32-25(33)15-29-12-19-9-20(13-29)11-21(10-19)14-29/h4-8,19-21H,9-15H2,1-3H3,(H2,31,32,33,35)