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

Systemtic Name: 2-(1-adamantyl)-N-[[2-chloranyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[2-chloro-5-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[2-chloro-5-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]acetamide Formula: C29H32ClN3O2S MolecularWeight: 522.10128

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H32ClN3O2S/c1-16(2)20-4-6-25-24(10-20)31-27(35-25)21-3-5-22(30)23(11-21)32-28(36)33-26(34)15-29-12-17-7-18(13-29)9-19(8-17)14-29/h3-6,10-11,16-19H,7-9,12-15H2,1-2H3,(H2,32,33,34,36)