3-(4-methylphenyl)-N-[(E)-(5-nitrothiophen-3-yl)methylideneamino]adamantane-1-carboxamide

Systemtic Name: 3-(4-methylphenyl)-N-[(E)-(5-nitrothiophen-3-yl)methylideneamino]adamantane-1-carboxamide Openeye Name: N-[(E)-(5-nitro-3-thienyl)methyleneamino]-3-(p-tolyl)adamantane-1-carboxamide CAS Name: 3-(4-methylphenyl)-N-[(E)-(5-nitro-3-thiophenyl)methylideneamino]-1-adamantanecarboxamide IUPAC Name: 3-(4-methylphenyl)-N-[(E)-(5-nitrothiophen-3-yl)methylideneamino]adamantane-1-carboxamide Traditional Name: N-[(E)-(5-nitro-3-thienyl)methyleneamino]-3-(p-tolyl)adamantane-1-carboxamide Formula: C23H25N3O3S MolecularWeight: 423.5279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NN=CC5=CSC(=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)N/N=C/C5=CSC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O3S/c1-15-2-4-19(5-3-15)22-8-16-6-17(9-22)11-23(10-16,14-22)21(27)25-24-12-18-7-20(26(28)29)30-13-18/h2-5,7,12-13,16-17H,6,8-11,14H2,1H3,(H,25,27)/b24-12+