1-[3-(4-methylphenyl)-1-adamantyl]-3-(thiophen-2-ylmethylideneamino)urea

Systemtic Name: 1-[3-(4-methylphenyl)-1-adamantyl]-3-(thiophen-2-ylmethylideneamino)urea Openeye Name: 1-[3-(p-tolyl)-1-adamantyl]-3-(2-thienylmethyleneamino)urea CAS Name: 1-[3-(4-methylphenyl)-1-adamantyl]-3-(thiophen-2-ylmethylideneamino)urea IUPAC Name: 1-[3-(4-methylphenyl)-1-adamantyl]-3-(thiophen-2-ylmethylideneamino)urea Traditional Name: 1-[3-(p-tolyl)-1-adamantyl]-3-(2-thenylideneamino)urea Formula: C23H27N3OS MolecularWeight: 393.54498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)NC(=O)NN=CC5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)NC(=O)NN=CC5=CC=CS5

InChI

InChI=1S/C23H27N3OS/c1-16-4-6-19(7-5-16)22-10-17-9-18(11-22)13-23(12-17,15-22)25-21(27)26-24-14-20-3-2-8-28-20/h2-8,14,17-18H,9-13,15H2,1H3,(H2,25,26,27)