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

Systemtic Name: 1-[(3-methoxy-4-oxidanyl-phenyl)methyl]-3-phenethyl-thiourea Openeye Name: 1-[(4-hydroxy-3-methoxy-phenyl)methyl]-3-phenethyl-thiourea CAS Name: 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenethylthiourea IUPAC Name: 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenethylthiourea Traditional Name: 1-phenethyl-3-vanillyl-thiourea Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=S)NCCC2=CC=CC=C2)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=S)NCCC2=CC=CC=C2)O

InChI

InChI=1S/C17H20N2O2S/c1-21-16-11-14(7-8-15(16)20)12-19-17(22)18-10-9-13-5-3-2-4-6-13/h2-8,11,20H,9-10,12H2,1H3,(H2,18,19,22)