2-(1-adamantyl)-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[(2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(2-phenylbenzotriazol-5-yl)thiocarbamoyl]acetamide Formula: C25H27N5OS MolecularWeight: 445.57978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC5=NN(N=C5C=C4)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC5=NN(N=C5C=C4)C6=CC=CC=C6

InChI

InChI=1S/C25H27N5OS/c31-23(15-25-12-16-8-17(13-25)10-18(9-16)14-25)27-24(32)26-19-6-7-21-22(11-19)29-30(28-21)20-4-2-1-3-5-20/h1-7,11,16-18H,8-10,12-15H2,(H2,26,27,31,32)