1-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea

Systemtic Name: 1-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea Openeye Name: 1-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea CAS Name: 1-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea IUPAC Name: 1-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea Traditional Name: 1-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethylphenyl)urea Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2=NN=C(S2)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=NN=C(S2)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C21H26N4OS/c1-12-3-4-17(5-13(12)2)22-19(26)23-20-25-24-18(27-20)21-9-14-6-15(10-21)8-16(7-14)11-21/h3-5,14-16H,6-11H2,1-2H3,(H2,22,23,25,26)