N-(1-adamantyl)-4-nitro-benzenecarbothioamide

Systemtic Name: N-(1-adamantyl)-4-nitro-benzenecarbothioamide Openeye Name: N-(1-adamantyl)-4-nitro-benzenecarbothioamide CAS Name: N-(1-adamantyl)-4-nitrobenzenecarbothioamide IUPAC Name: N-(1-adamantyl)-4-nitrobenzenecarbothioamide Traditional Name: N-(1-adamantyl)-4-nitro-thiobenzamide Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O2S/c20-19(21)15-3-1-14(2-4-15)16(22)18-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,18,22)