benzoic acid; N-ethyl-3-(2-methylsulfanylphenoxy)-3-phenyl-propan-1-amine

Systemtic Name: benzoic acid; N-ethyl-3-(2-methylsulfanylphenoxy)-3-phenyl-propan-1-amine Openeye Name: benzoic acid; N-ethyl-3-(2-methylsulfanylphenoxy)-3-phenyl-propan-1-amine CAS Name: benzoic acid; N-ethyl-3-[2-(methylthio)phenoxy]-3-phenyl-1-propanamine IUPAC Name: benzoic acid; N-ethyl-3-(2-methylsulfanylphenoxy)-3-phenylpropan-1-amine Traditional Name: benzoic acid; ethyl-[3-[2-(methylthio)phenoxy]-3-phenyl-propyl]amine Formula: C25H29NO3S MolecularWeight: 423.56766

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Descriptors Computed from Structure

Canonical SMILES:

CCNCCC(C1=CC=CC=C1)OC2=CC=CC=C2SC.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCNCCC(C1=CC=CC=C1)OC2=CC=CC=C2SC.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C18H23NOS.C7H6O2/c1-3-19-14-13-16(15-9-5-4-6-10-15)20-17-11-7-8-12-18(17)21-2;8-7(9)6-4-2-1-3-5-6/h4-12,16,19H,3,13-14H2,1-2H3;1-5H,(H,8,9)