1-[3-(4-methylphenyl)-1-adamantyl]-3-[(E)-(5-nitrothiophen-3-yl)methylideneamino]urea

Systemtic Name: 1-[3-(4-methylphenyl)-1-adamantyl]-3-[(E)-(5-nitrothiophen-3-yl)methylideneamino]urea Openeye Name: 1-[(E)-(5-nitro-3-thienyl)methyleneamino]-3-[3-(p-tolyl)-1-adamantyl]urea CAS Name: 1-[3-(4-methylphenyl)-1-adamantyl]-3-[(E)-(5-nitro-3-thiophenyl)methylideneamino]urea IUPAC Name: 1-[3-(4-methylphenyl)-1-adamantyl]-3-[(E)-(5-nitrothiophen-3-yl)methylideneamino]urea Traditional Name: 1-[(E)-(5-nitro-3-thienyl)methyleneamino]-3-[3-(p-tolyl)-1-adamantyl]urea Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O3S/c1-15-2-4-19(5-3-15)22-8-16-6-17(9-22)11-23(10-16,14-22)25-21(28)26-24-12-18-7-20(27(29)30)31-13-18/h2-5,7,12-13,16-17H,6,8-11,14H2,1H3,(H2,25,26,28)/b24-12+