1-[2-[3,4-bis(oxidanyl)phenyl]ethyl]-3-(4-phenoxyphenyl)thiourea

Systemtic Name: 1-[2-[3,4-bis(oxidanyl)phenyl]ethyl]-3-(4-phenoxyphenyl)thiourea Openeye Name: 1-[2-(3,4-dihydroxyphenyl)ethyl]-3-(4-phenoxyphenyl)thiourea CAS Name: 1-[2-(3,4-dihydroxyphenyl)ethyl]-3-(4-phenoxyphenyl)thiourea IUPAC Name: 1-[2-(3,4-dihydroxyphenyl)ethyl]-3-(4-phenoxyphenyl)thiourea Traditional Name: 1-[2-(3,4-dihydroxyphenyl)ethyl]-3-(4-phenoxyphenyl)thiourea Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)NCCC3=CC(=C(C=C3)O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)NCCC3=CC(=C(C=C3)O)O

InChI

InChI=1S/C21H20N2O3S/c24-19-11-6-15(14-20(19)25)12-13-22-21(27)23-16-7-9-18(10-8-16)26-17-4-2-1-3-5-17/h1-11,14,24-25H,12-13H2,(H2,22,23,27)