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

Systemtic Name: 1-(2-adamantyl)-3-(4-bromanyl-3-chloranyl-phenyl)thiourea Openeye Name: 1-(2-adamantyl)-3-(4-bromo-3-chloro-phenyl)thiourea CAS Name: 1-(2-adamantyl)-3-(4-bromo-3-chlorophenyl)thiourea IUPAC Name: 1-(2-adamantyl)-3-(4-bromo-3-chlorophenyl)thiourea Traditional Name: 1-(2-adamantyl)-3-(4-bromo-3-chloro-phenyl)thiourea Formula: C17H20BrClN2S MolecularWeight: 399.7761

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=S)NC4=CC(=C(C=C4)Br)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=S)NC4=CC(=C(C=C4)Br)Cl

InChI

InChI=1S/C17H20BrClN2S/c18-14-2-1-13(8-15(14)19)20-17(22)21-16-11-4-9-3-10(6-11)7-12(16)5-9/h1-2,8-12,16H,3-7H2,(H2,20,21,22)