N-(1-adamantylcarbamothioyl)-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-(1-adamantylcarbamothioyl)-4-ethoxy-3-nitro-benzamide Openeye Name: N-(1-adamantylcarbamothioyl)-4-ethoxy-3-nitro-benzamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-(1-adamantylcarbamothioyl)-4-ethoxy-3-nitrobenzamide Traditional Name: N-(1-adamantylthiocarbamoyl)-4-ethoxy-3-nitro-benzamide Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O4S/c1-2-27-17-4-3-15(8-16(17)23(25)26)18(24)21-19(28)22-20-9-12-5-13(10-20)7-14(6-12)11-20/h3-4,8,12-14H,2,5-7,9-11H2,1H3,(H2,21,22,24,28)