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

Systemtic Name: S-(3-phenylpropyl) 4-[[(3-ethylphenyl)amino]methyl]benzenecarbothioate Openeye Name: S-(3-phenylpropyl) 4-[(3-ethylanilino)methyl]benzenecarbothioate CAS Name: 4-[(3-ethylanilino)methyl]benzenecarbothioic acid S-(3-phenylpropyl) ester IUPAC Name: S-(3-phenylpropyl) 4-[(3-ethylanilino)methyl]benzenecarbothioate Traditional Name: 4-[(3-ethylanilino)methyl]thiobenzoic acid S-(3-phenylpropyl) ester Formula: C25H27NOS MolecularWeight: 389.55298

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NCC2=CC=C(C=C2)C(=O)SCCCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=CC=C1)NCC2=CC=C(C=C2)C(=O)SCCCC3=CC=CC=C3

InChI

InChI=1S/C25H27NOS/c1-2-20-10-6-12-24(18-20)26-19-22-13-15-23(16-14-22)25(27)28-17-7-11-21-8-4-3-5-9-21/h3-6,8-10,12-16,18,26H,2,7,11,17,19H2,1H3