1-(1-adamantyl)-3-(3,4-dichlorophenyl)thiourea

Systemtic Name: 1-(1-adamantyl)-3-(3,4-dichlorophenyl)thiourea Openeye Name: 1-(1-adamantyl)-3-(3,4-dichlorophenyl)thiourea CAS Name: 1-(1-adamantyl)-3-(3,4-dichlorophenyl)thiourea IUPAC Name: 1-(1-adamantyl)-3-(3,4-dichlorophenyl)thiourea Traditional Name: 1-(1-adamantyl)-3-(3,4-dichlorophenyl)thiourea Formula: C17H20Cl2N2S MolecularWeight: 355.3251

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)NC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C17H20Cl2N2S/c18-14-2-1-13(6-15(14)19)20-16(22)21-17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12H,3-5,7-9H2,(H2,20,21,22)