1-[1-(1-adamantyl)propyl]-3-(2,4-dichlorophenyl)thiourea

Systemtic Name: 1-[1-(1-adamantyl)propyl]-3-(2,4-dichlorophenyl)thiourea Openeye Name: 1-[1-(1-adamantyl)propyl]-3-(2,4-dichlorophenyl)thiourea CAS Name: 1-[1-(1-adamantyl)propyl]-3-(2,4-dichlorophenyl)thiourea IUPAC Name: 1-[1-(1-adamantyl)propyl]-3-(2,4-dichlorophenyl)thiourea Traditional Name: 1-[1-(1-adamantyl)propyl]-3-(2,4-dichlorophenyl)thiourea Formula: C20H26Cl2N2S MolecularWeight: 397.40484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26Cl2N2S/c1-2-18(20-9-12-5-13(10-20)7-14(6-12)11-20)24-19(25)23-17-4-3-15(21)8-16(17)22/h3-4,8,12-14,18H,2,5-7,9-11H2,1H3,(H2,23,24,25)