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

Systemtic Name: 1-[1-(1-adamantyl)butyl]-3-(3-chloranyl-2-methyl-phenyl)thiourea Openeye Name: 1-[1-(1-adamantyl)butyl]-3-(3-chloro-2-methyl-phenyl)thiourea CAS Name: 1-[1-(1-adamantyl)butyl]-3-(3-chloro-2-methylphenyl)thiourea IUPAC Name: 1-[1-(1-adamantyl)butyl]-3-(3-chloro-2-methylphenyl)thiourea Traditional Name: 1-[1-(1-adamantyl)butyl]-3-(3-chloro-2-methyl-phenyl)thiourea Formula: C22H31ClN2S MolecularWeight: 391.01294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31ClN2S/c1-3-5-20(22-11-15-8-16(12-22)10-17(9-15)13-22)25-21(26)24-19-7-4-6-18(23)14(19)2/h4,6-7,15-17,20H,3,5,8-13H2,1-2H3,(H2,24,25,26)