S-(3-phenylpropyl) 4-[[(phenylmethyl)amino]methyl]benzenecarbothioate

Systemtic Name: S-(3-phenylpropyl) 4-[[(phenylmethyl)amino]methyl]benzenecarbothioate Openeye Name: S-(3-phenylpropyl) 4-[(benzylamino)methyl]benzenecarbothioate CAS Name: 4-[[(phenylmethyl)amino]methyl]benzenecarbothioic acid S-(3-phenylpropyl) ester IUPAC Name: S-(3-phenylpropyl) 4-[(benzylamino)methyl]benzenecarbothioate Traditional Name: 4-[(benzylamino)methyl]thiobenzoic acid S-(3-phenylpropyl) ester Formula: C24H25NOS MolecularWeight: 375.5264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCSC(=O)C2=CC=C(C=C2)CNCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCSC(=O)C2=CC=C(C=C2)CNCC3=CC=CC=C3

InChI

InChI=1S/C24H25NOS/c26-24(27-17-7-12-20-8-3-1-4-9-20)23-15-13-22(14-16-23)19-25-18-21-10-5-2-6-11-21/h1-6,8-11,13-16,25H,7,12,17-19H2