1-[[3,4-bis(oxidanyl)phenyl]methyl]-3-(2,6-diethylphenyl)thiourea

Systemtic Name: 1-[[3,4-bis(oxidanyl)phenyl]methyl]-3-(2,6-diethylphenyl)thiourea Openeye Name: 1-(2,6-diethylphenyl)-3-[(3,4-dihydroxyphenyl)methyl]thiourea CAS Name: 1-(2,6-diethylphenyl)-3-[(3,4-dihydroxyphenyl)methyl]thiourea IUPAC Name: 1-(2,6-diethylphenyl)-3-[(3,4-dihydroxyphenyl)methyl]thiourea Traditional Name: 1-(2,6-diethylphenyl)-3-protocatechuyl-thiourea Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)NCC2=CC(=C(C=C2)O)O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)NCC2=CC(=C(C=C2)O)O

InChI

InChI=1S/C18H22N2O2S/c1-3-13-6-5-7-14(4-2)17(13)20-18(23)19-11-12-8-9-15(21)16(22)10-12/h5-10,21-22H,3-4,11H2,1-2H3,(H2,19,20,23)