N-[[2-(1-adamantylcarbonylcarbamothioylamino)phenyl]carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[[2-(1-adamantylcarbonylcarbamothioylamino)phenyl]carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[[2-(adamantane-1-carbonylcarbamothioylamino)phenyl]carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[2-[[[[1-adamantyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[[2-(adamantane-1-carbonylcarbamothioylamino)phenyl]carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[[2-(adamantane-1-carbonylthiocarbamoylamino)phenyl]thiocarbamoyl]adamantane-1-carboxamide Formula: C30H38N4O2S2 MolecularWeight: 550.77832

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NC4=CC=CC=C4NC(=S)NC(=O)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NC4=CC=CC=C4NC(=S)NC(=O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C30H38N4O2S2/c35-25(29-11-17-5-18(12-29)7-19(6-17)13-29)33-27(37)31-23-3-1-2-4-24(23)32-28(38)34-26(36)30-14-20-8-21(15-30)10-22(9-20)16-30/h1-4,17-22H,5-16H2,(H2,31,33,35,37)(H2,32,34,36,38)