1-(1-adamantyl)-3-[[3,4-bis(oxidanyl)phenyl]methyl]thiourea

Systemtic Name: 1-(1-adamantyl)-3-[[3,4-bis(oxidanyl)phenyl]methyl]thiourea Openeye Name: 1-(1-adamantyl)-3-[(3,4-dihydroxyphenyl)methyl]thiourea CAS Name: 1-(1-adamantyl)-3-[(3,4-dihydroxyphenyl)methyl]thiourea IUPAC Name: 1-(1-adamantyl)-3-[(3,4-dihydroxyphenyl)methyl]thiourea Traditional Name: 1-(1-adamantyl)-3-protocatechuyl-thiourea Formula: C18H24N2O2S MolecularWeight: 332.46036

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NCC4=CC(=C(C=C4)O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)NCC4=CC(=C(C=C4)O)O

InChI

InChI=1S/C18H24N2O2S/c21-15-2-1-11(6-16(15)22)10-19-17(23)20-18-7-12-3-13(8-18)5-14(4-12)9-18/h1-2,6,12-14,21-22H,3-5,7-10H2,(H2,19,20,23)