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

Systemtic Name: 1-[1-(1-adamantyl)butyl]-3-(3-chloranyl-4-methyl-phenyl)thiourea Openeye Name: 1-[1-(1-adamantyl)butyl]-3-(3-chloro-4-methyl-phenyl)thiourea CAS Name: 1-[1-(1-adamantyl)butyl]-3-(3-chloro-4-methylphenyl)thiourea IUPAC Name: 1-[1-(1-adamantyl)butyl]-3-(3-chloro-4-methylphenyl)thiourea Traditional Name: 1-[1-(1-adamantyl)butyl]-3-(3-chloro-4-methyl-phenyl)thiourea Formula: C22H31ClN2S MolecularWeight: 391.01294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31ClN2S/c1-3-4-20(22-11-15-7-16(12-22)9-17(8-15)13-22)25-21(26)24-18-6-5-14(2)19(23)10-18/h5-6,10,15-17,20H,3-4,7-9,11-13H2,1-2H3,(H2,24,25,26)