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

Systemtic Name: 4-ethoxy-N-[2-[3-[(3-methylphenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide Openeye Name: 4-ethoxy-N-[2-[3-(m-tolylmethylsulfanyl)indol-1-yl]ethyl]benzamide CAS Name: 4-ethoxy-N-[2-[3-[(3-methylphenyl)methylthio]-1-indolyl]ethyl]benzamide IUPAC Name: 4-ethoxy-N-[2-[3-[(3-methylphenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide Traditional Name: 4-ethoxy-N-[2-[3-[(3-methylbenzyl)thio]indol-1-yl]ethyl]benzamide Formula: C27H28N2O2S MolecularWeight: 444.58842

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=CC=CC(=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O2S/c1-3-31-23-13-11-22(12-14-23)27(30)28-15-16-29-18-26(24-9-4-5-10-25(24)29)32-19-21-8-6-7-20(2)17-21/h4-14,17-18H,3,15-16,19H2,1-2H3,(H,28,30)