2-(1-adamantyl)-N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[(6-chloro-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(6-chloro-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]acetamide Formula: C25H26ClN5OS MolecularWeight: 480.02484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC5=NN(N=C5C=C4Cl)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC5=NN(N=C5C=C4Cl)C6=CC=CC=C6

InChI

InChI=1S/C25H26ClN5OS/c26-19-9-21-22(30-31(29-21)18-4-2-1-3-5-18)10-20(19)27-24(33)28-23(32)14-25-11-15-6-16(12-25)8-17(7-15)13-25/h1-5,9-10,15-17H,6-8,11-14H2,(H2,27,28,32,33)