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

Systemtic Name: N-(1-adamantylcarbamothioyl)-4-methoxy-3-nitro-benzamide Openeye Name: N-(1-adamantylcarbamothioyl)-4-methoxy-3-nitro-benzamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-(1-adamantylcarbamothioyl)-4-methoxy-3-nitrobenzamide Traditional Name: N-(1-adamantylthiocarbamoyl)-4-methoxy-3-nitro-benzamide Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O4S/c1-26-16-3-2-14(7-15(16)22(24)25)17(23)20-18(27)21-19-8-11-4-12(9-19)6-13(5-11)10-19/h2-3,7,11-13H,4-6,8-10H2,1H3,(H2,20,21,23,27)