1-(1-adamantylcarbonylamino)-3-(2-chloranyl-4,6-dimethyl-phenyl)thiourea

Systemtic Name: 1-(1-adamantylcarbonylamino)-3-(2-chloranyl-4,6-dimethyl-phenyl)thiourea Openeye Name: 1-(adamantane-1-carbonylamino)-3-(2-chloro-4,6-dimethyl-phenyl)thiourea CAS Name: 1-[[1-adamantyl(oxo)methyl]amino]-3-(2-chloro-4,6-dimethylphenyl)thiourea IUPAC Name: 1-(adamantane-1-carbonylamino)-3-(2-chloro-4,6-dimethylphenyl)thiourea Traditional Name: 1-(adamantane-1-carbonylamino)-3-(2-chloro-4,6-dimethyl-phenyl)thiourea Formula: C20H26ClN3OS MolecularWeight: 391.95794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)NNC(=O)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)NNC(=O)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C20H26ClN3OS/c1-11-3-12(2)17(16(21)4-11)22-19(26)24-23-18(25)20-8-13-5-14(9-20)7-15(6-13)10-20/h3-4,13-15H,5-10H2,1-2H3,(H,23,25)(H2,22,24,26)