1-[[3,4-bis(oxidanyl)phenyl]methyl]-3-(2-methoxy-5-phenyl-phenyl)thiourea

Systemtic Name: 1-[[3,4-bis(oxidanyl)phenyl]methyl]-3-(2-methoxy-5-phenyl-phenyl)thiourea Openeye Name: 1-[(3,4-dihydroxyphenyl)methyl]-3-(2-methoxy-5-phenyl-phenyl)thiourea CAS Name: 1-[(3,4-dihydroxyphenyl)methyl]-3-(2-methoxy-5-phenylphenyl)thiourea IUPAC Name: 1-[(3,4-dihydroxyphenyl)methyl]-3-(2-methoxy-5-phenylphenyl)thiourea Traditional Name: 1-(2-methoxy-5-phenyl-phenyl)-3-protocatechuyl-thiourea Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=CC=C2)NC(=S)NCC3=CC(=C(C=C3)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=CC=C2)NC(=S)NCC3=CC(=C(C=C3)O)O

InChI

InChI=1S/C21H20N2O3S/c1-26-20-10-8-16(15-5-3-2-4-6-15)12-17(20)23-21(27)22-13-14-7-9-18(24)19(25)11-14/h2-12,24-25H,13H2,1H3,(H2,22,23,27)