N-[2-[3-[(2,5-dimethylphenyl)methylsulfanyl]indol-1-yl]ethyl]-4-ethoxy-benzamide

Systemtic Name: N-[2-[3-[(2,5-dimethylphenyl)methylsulfanyl]indol-1-yl]ethyl]-4-ethoxy-benzamide Openeye Name: N-[2-[3-[(2,5-dimethylphenyl)methylsulfanyl]indol-1-yl]ethyl]-4-ethoxy-benzamide CAS Name: N-[2-[3-[(2,5-dimethylphenyl)methylthio]-1-indolyl]ethyl]-4-ethoxybenzamide IUPAC Name: N-[2-[3-[(2,5-dimethylphenyl)methylsulfanyl]indol-1-yl]ethyl]-4-ethoxybenzamide Traditional Name: N-[2-[3-[(2,5-dimethylbenzyl)thio]indol-1-yl]ethyl]-4-ethoxy-benzamide Formula: C28H30N2O2S MolecularWeight: 458.615

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC4=C(C=CC(=C4)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC4=C(C=CC(=C4)C)C

InChI

InChI=1S/C28H30N2O2S/c1-4-32-24-13-11-22(12-14-24)28(31)29-15-16-30-18-27(25-7-5-6-8-26(25)30)33-19-23-17-20(2)9-10-21(23)3/h5-14,17-18H,4,15-16,19H2,1-3H3,(H,29,31)