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

Systemtic Name: N-(1-adamantylcarbamothioyl)-4-methyl-3-nitro-benzamide Openeye Name: N-(1-adamantylcarbamothioyl)-4-methyl-3-nitro-benzamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-(1-adamantylcarbamothioyl)-4-methyl-3-nitrobenzamide Traditional Name: N-(1-adamantylthiocarbamoyl)-4-methyl-3-nitro-benzamide Formula: C19H23N3O3S MolecularWeight: 373.46922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O3S/c1-11-2-3-15(7-16(11)22(24)25)17(23)20-18(26)21-19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,12-14H,4-6,8-10H2,1H3,(H2,20,21,23,26)