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

Systemtic Name: 2-(1-adamantyl)-N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[2-(1-naphthyl)benzotriazol-5-yl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[[2-(1-naphthalenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[2-(1-naphthyl)benzotriazol-5-yl]thiocarbamoyl]acetamide Formula: C29H29N5OS MolecularWeight: 495.63846

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=CC7=CC=CC=C76

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC5=NN(N=C5C=C4)C6=CC=CC7=CC=CC=C76

InChI

InChI=1S/C29H29N5OS/c35-27(17-29-14-18-10-19(15-29)12-20(11-18)16-29)31-28(36)30-22-8-9-24-25(13-22)33-34(32-24)26-7-3-5-21-4-1-2-6-23(21)26/h1-9,13,18-20H,10-12,14-17H2,(H2,30,31,35,36)