butanedioic acid; 3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenyl-propan-1-amine

Systemtic Name: butanedioic acid; 3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenyl-propan-1-amine Openeye Name: 3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenyl-propan-1-amine; succinic acid CAS Name: butanedioic acid; 3-[2-(ethylthio)phenoxy]-N-methyl-3-phenyl-1-propanamine IUPAC Name: butanedioic acid; 3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine Traditional Name: [3-[2-(ethylthio)phenoxy]-3-phenyl-propyl]-methyl-amine; succinic acid Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1OC(CCNC)C2=CC=CC=C2.C(CC(=O)O)C(=O)O

Isomeric SMILES

CCSC1=CC=CC=C1OC(CCNC)C2=CC=CC=C2.C(CC(=O)O)C(=O)O

InChI

InChI=1S/C18H23NOS.C4H6O4/c1-3-21-18-12-8-7-11-17(18)20-16(13-14-19-2)15-9-5-4-6-10-15;5-3(6)1-2-4(7)8/h4-12,16,19H,3,13-14H2,1-2H3;1-2H2,(H,5,6)(H,7,8)