1-[1-(1-adamantyl)butyl]-3-(4-bromanyl-2-chloranyl-phenyl)thiourea

Systemtic Name: 1-[1-(1-adamantyl)butyl]-3-(4-bromanyl-2-chloranyl-phenyl)thiourea Openeye Name: 1-[1-(1-adamantyl)butyl]-3-(4-bromo-2-chloro-phenyl)thiourea CAS Name: 1-[1-(1-adamantyl)butyl]-3-(4-bromo-2-chlorophenyl)thiourea IUPAC Name: 1-[1-(1-adamantyl)butyl]-3-(4-bromo-2-chlorophenyl)thiourea Traditional Name: 1-[1-(1-adamantyl)butyl]-3-(4-bromo-2-chloro-phenyl)thiourea Formula: C21H28BrClN2S MolecularWeight: 455.88242

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=C(C=C(C=C4)Br)Cl

Isomeric SMILES

CCCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=C(C=C(C=C4)Br)Cl

InChI

InChI=1S/C21H28BrClN2S/c1-2-3-19(21-10-13-6-14(11-21)8-15(7-13)12-21)25-20(26)24-18-5-4-16(22)9-17(18)23/h4-5,9,13-15,19H,2-3,6-8,10-12H2,1H3,(H2,24,25,26)