N-[[4-[5-(1-adamantyl)-1,2,3-triazol-1-yl]phenyl]carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[5-(1-adamantyl)-1,2,3-triazol-1-yl]phenyl]carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[[4-[5-(1-adamantyl)triazol-1-yl]phenyl]carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[4-[5-(1-adamantyl)-1-triazolyl]anilino]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[5-(1-adamantyl)triazol-1-yl]phenyl]carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[[4-[5-(1-adamantyl)triazol-1-yl]phenyl]thiocarbamoyl]adamantane-1-carboxamide Formula: C30H37N5OS MolecularWeight: 515.71268

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CN=NN4C5=CC=C(C=C5)NC(=S)NC(=O)C67CC8CC(C6)CC(C8)C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CN=NN4C5=CC=C(C=C5)NC(=S)NC(=O)C67CC8CC(C6)CC(C8)C7

InChI

InChI=1S/C30H37N5OS/c36-27(30-14-21-8-22(15-30)10-23(9-21)16-30)33-28(37)32-24-1-3-25(4-2-24)35-26(17-31-34-35)29-11-18-5-19(12-29)7-20(6-18)13-29/h1-4,17-23H,5-16H2,(H2,32,33,36,37)