2-(1-adamantyl)-N-[[6-chloranyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[6-chloranyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[6-chloro-2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[[6-chloro-2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[6-chloro-2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]acetamide Formula: C26H28ClN5OS MolecularWeight: 494.05142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H28ClN5OS/c1-15-2-4-19(5-3-15)32-30-22-9-20(27)21(10-23(22)31-32)28-25(34)29-24(33)14-26-11-16-6-17(12-26)8-18(7-16)13-26/h2-5,9-10,16-18H,6-8,11-14H2,1H3,(H2,28,29,33,34)