1-(1-adamantyl)-3-[3,5-bis(chloranyl)phenyl]thiourea

Systemtic Name: 1-(1-adamantyl)-3-[3,5-bis(chloranyl)phenyl]thiourea Openeye Name: 1-(1-adamantyl)-3-(3,5-dichlorophenyl)thiourea CAS Name: 1-(1-adamantyl)-3-(3,5-dichlorophenyl)thiourea IUPAC Name: 1-(1-adamantyl)-3-(3,5-dichlorophenyl)thiourea Traditional Name: 1-(1-adamantyl)-3-(3,5-dichlorophenyl)thiourea Formula: C17H20Cl2N2S MolecularWeight: 355.3251

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20Cl2N2S/c18-13-4-14(19)6-15(5-13)20-16(22)21-17-7-10-1-11(8-17)3-12(2-10)9-17/h4-6,10-12H,1-3,7-9H2,(H2,20,21,22)