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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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