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

Systemtic Name: 2-(1-adamantyl)-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[(6-methyl-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]acetamide Formula: C26H29N5OS MolecularWeight: 459.60636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

InChI=1S/C26H29N5OS/c1-16-7-22-23(30-31(29-22)20-5-3-2-4-6-20)11-21(16)27-25(33)28-24(32)15-26-12-17-8-18(13-26)10-19(9-17)14-26/h2-7,11,17-19H,8-10,12-15H2,1H3,(H2,27,28,32,33)