1-[2-(3-methoxy-4-oxidanyl-phenyl)ethyl]-1,3-diphenethyl-thiourea

Systemtic Name: 1-[2-(3-methoxy-4-oxidanyl-phenyl)ethyl]-1,3-diphenethyl-thiourea Openeye Name: 1-[2-(4-hydroxy-3-methoxy-phenyl)ethyl]-1,3-diphenethyl-thiourea CAS Name: 1-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-diphenethylthiourea IUPAC Name: 1-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-diphenethylthiourea Traditional Name: 1-homovanillyl-1,3-diphenethyl-thiourea Formula: C26H30N2O2S MolecularWeight: 434.5936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCN(CCC2=CC=CC=C2)C(=S)NCCC3=CC=CC=C3)O

Isomeric SMILES

COC1=C(C=CC(=C1)CCN(CCC2=CC=CC=C2)C(=S)NCCC3=CC=CC=C3)O

InChI

InChI=1S/C26H30N2O2S/c1-30-25-20-23(12-13-24(25)29)16-19-28(18-15-22-10-6-3-7-11-22)26(31)27-17-14-21-8-4-2-5-9-21/h2-13,20,29H,14-19H2,1H3,(H,27,31)