1-[1-(1-adamantyl)propyl]-3-(5-chloranyl-2-methyl-phenyl)thiourea

Systemtic Name: 1-[1-(1-adamantyl)propyl]-3-(5-chloranyl-2-methyl-phenyl)thiourea Openeye Name: 1-[1-(1-adamantyl)propyl]-3-(5-chloro-2-methyl-phenyl)thiourea CAS Name: 1-[1-(1-adamantyl)propyl]-3-(5-chloro-2-methylphenyl)thiourea IUPAC Name: 1-[1-(1-adamantyl)propyl]-3-(5-chloro-2-methylphenyl)thiourea Traditional Name: 1-[1-(1-adamantyl)propyl]-3-(5-chloro-2-methyl-phenyl)thiourea Formula: C21H29ClN2S MolecularWeight: 376.98636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29ClN2S/c1-3-19(21-10-14-6-15(11-21)8-16(7-14)12-21)24-20(25)23-18-9-17(22)5-4-13(18)2/h4-5,9,14-16,19H,3,6-8,10-12H2,1-2H3,(H2,23,24,25)