1-(2-adamantyl)-3-[(3-methoxy-4-oxidanyl-phenyl)methyl]thiourea

Systemtic Name: 1-(2-adamantyl)-3-[(3-methoxy-4-oxidanyl-phenyl)methyl]thiourea Openeye Name: 1-(2-adamantyl)-3-[(4-hydroxy-3-methoxy-phenyl)methyl]thiourea CAS Name: 1-(2-adamantyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]thiourea IUPAC Name: 1-(2-adamantyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]thiourea Traditional Name: 1-(2-adamantyl)-3-vanillyl-thiourea Formula: C19H26N2O2S MolecularWeight: 346.48694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=S)NC2C3CC4CC(C3)CC2C4)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=S)NC2C3CC4CC(C3)CC2C4)O

InChI

InChI=1S/C19H26N2O2S/c1-23-17-9-11(2-3-16(17)22)10-20-19(24)21-18-14-5-12-4-13(7-14)8-15(18)6-12/h2-3,9,12-15,18,22H,4-8,10H2,1H3,(H2,20,21,24)