1-[2-oxidanyl-3-(4-propanoylphenoxy)propyl]-3-phenethyl-thiourea

Systemtic Name: 1-[2-oxidanyl-3-(4-propanoylphenoxy)propyl]-3-phenethyl-thiourea Openeye Name: 1-[2-hydroxy-3-(4-propanoylphenoxy)propyl]-3-phenethyl-thiourea CAS Name: 1-[2-hydroxy-3-[4-(1-oxopropyl)phenoxy]propyl]-3-phenethylthiourea IUPAC Name: 1-[2-hydroxy-3-(4-propanoylphenoxy)propyl]-3-phenethylthiourea Traditional Name: 1-[2-hydroxy-3-(4-propionylphenoxy)propyl]-3-phenethyl-thiourea Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(CNC(=S)NCCC2=CC=CC=C2)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(CNC(=S)NCCC2=CC=CC=C2)O

InChI

InChI=1S/C21H26N2O3S/c1-2-20(25)17-8-10-19(11-9-17)26-15-18(24)14-23-21(27)22-13-12-16-6-4-3-5-7-16/h3-11,18,24H,2,12-15H2,1H3,(H2,22,23,27)