N-ethyl-3-phenyl-3-(2-propylsulfanylphenoxy)propan-1-amine; methanoic acid

Systemtic Name: N-ethyl-3-phenyl-3-(2-propylsulfanylphenoxy)propan-1-amine; methanoic acid Openeye Name: N-ethyl-3-phenyl-3-(2-propylsulfanylphenoxy)propan-1-amine; formic acid CAS Name: N-ethyl-3-phenyl-3-[2-(propylthio)phenoxy]-1-propanamine; formic acid IUPAC Name: N-ethyl-3-phenyl-3-(2-propylsulfanylphenoxy)propan-1-amine; formic acid Traditional Name: ethyl-[3-phenyl-3-[2-(propylthio)phenoxy]propyl]amine; formic acid Formula: C21H29NO3S MolecularWeight: 375.52486

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=CC=C1OC(CCNCC)C2=CC=CC=C2.C(=O)O

Isomeric SMILES

CCCSC1=CC=CC=C1OC(CCNCC)C2=CC=CC=C2.C(=O)O

InChI

InChI=1S/C20H27NOS.CH2O2/c1-3-16-23-20-13-9-8-12-19(20)22-18(14-15-21-4-2)17-10-6-5-7-11-17;2-1-3/h5-13,18,21H,3-4,14-16H2,1-2H3;1H,(H,2,3)