N-(2-adamantylcarbamothioyl)-2-methyl-3-nitro-benzamide

Systemtic Name: N-(2-adamantylcarbamothioyl)-2-methyl-3-nitro-benzamide Openeye Name: N-(2-adamantylcarbamothioyl)-2-methyl-3-nitro-benzamide CAS Name: N-[(2-adamantylamino)-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-(2-adamantylcarbamothioyl)-2-methyl-3-nitrobenzamide Traditional Name: N-(2-adamantylthiocarbamoyl)-2-methyl-3-nitro-benzamide Formula: C19H23N3O3S MolecularWeight: 373.46922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4

InChI

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