1-[phenyl-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]carbamothioyl]-1-propyl-urea

Systemtic Name: 1-[phenyl-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]carbamothioyl]-1-propyl-urea Openeye Name: 1-[phenyl-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]carbamothioyl]-1-propyl-urea CAS Name: 1-propyl-1-[[N-[3-[3-(1-pyrrolidinylmethyl)phenoxy]propyl]anilino]-sulfanylidenemethyl]urea IUPAC Name: 1-[phenyl-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]carbamothioyl]-1-propylurea Traditional Name: 1-[phenyl-[3-[3-(pyrrolidinomethyl)phenoxy]propyl]thiocarbamoyl]-1-propyl-urea Formula: C25H34N4O2S MolecularWeight: 454.62806

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(=O)N)C(=S)N(CCCOC1=CC=CC(=C1)CN2CCCC2)C3=CC=CC=C3

Isomeric SMILES

CCCN(C(=O)N)C(=S)N(CCCOC1=CC=CC(=C1)CN2CCCC2)C3=CC=CC=C3

InChI

InChI=1S/C25H34N4O2S/c1-2-14-29(24(26)30)25(32)28(22-11-4-3-5-12-22)17-9-18-31-23-13-8-10-21(19-23)20-27-15-6-7-16-27/h3-5,8,10-13,19H,2,6-7,9,14-18,20H2,1H3,(H2,26,30)