S-(3-phenylpropyl) 4-[[2-(1H-indol-3-yl)ethyl-methyl-amino]methyl]benzenecarbothioate

Systemtic Name: S-(3-phenylpropyl) 4-[[2-(1H-indol-3-yl)ethyl-methyl-amino]methyl]benzenecarbothioate Openeye Name: S-(3-phenylpropyl) 4-[[2-(1H-indol-3-yl)ethyl-methyl-amino]methyl]benzenecarbothioate CAS Name: 4-[[2-(1H-indol-3-yl)ethyl-methylamino]methyl]benzenecarbothioic acid S-(3-phenylpropyl) ester IUPAC Name: S-(3-phenylpropyl) 4-[[2-(1H-indol-3-yl)ethyl-methylamino]methyl]benzenecarbothioate Traditional Name: 4-[[2-(1H-indol-3-yl)ethyl-methyl-amino]methyl]thiobenzoic acid S-(3-phenylpropyl) ester Formula: C28H30N2OS MolecularWeight: 442.6156

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CNC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)SCCCC4=CC=CC=C4

Isomeric SMILES

CN(CCC1=CNC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)SCCCC4=CC=CC=C4

InChI

InChI=1S/C28H30N2OS/c1-30(18-17-25-20-29-27-12-6-5-11-26(25)27)21-23-13-15-24(16-14-23)28(31)32-19-7-10-22-8-3-2-4-9-22/h2-6,8-9,11-16,20,29H,7,10,17-19,21H2,1H3