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

Systemtic Name: 1-(1-adamantylmethyl)-3-(4-bromanyl-2-chloranyl-phenyl)thiourea Openeye Name: 1-(1-adamantylmethyl)-3-(4-bromo-2-chloro-phenyl)thiourea CAS Name: 1-(1-adamantylmethyl)-3-(4-bromo-2-chlorophenyl)thiourea IUPAC Name: 1-(1-adamantylmethyl)-3-(4-bromo-2-chlorophenyl)thiourea Traditional Name: 1-(1-adamantylmethyl)-3-(4-bromo-2-chloro-phenyl)thiourea Formula: C18H22BrClN2S MolecularWeight: 413.80268

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=S)NC4=C(C=C(C=C4)Br)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=S)NC4=C(C=C(C=C4)Br)Cl

InChI

InChI=1S/C18H22BrClN2S/c19-14-1-2-16(15(20)6-14)22-17(23)21-10-18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,11-13H,3-5,7-10H2,(H2,21,22,23)