2-(1-adamantyl)-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[4-(3-nitrophenyl)thiazol-2-yl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[[4-(3-nitrophenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[4-(3-nitrophenyl)thiazol-2-yl]thiocarbamoyl]acetamide Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=NC(=CS4)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=NC(=CS4)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O3S2/c27-19(11-22-8-13-4-14(9-22)6-15(5-13)10-22)24-20(30)25-21-23-18(12-31-21)16-2-1-3-17(7-16)26(28)29/h1-3,7,12-15H,4-6,8-11H2,(H2,23,24,25,27,30)