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

Systemtic Name: N-[2-[3-[(4-bromophenyl)methylsulfanyl]indol-1-yl]ethyl]-4-ethoxy-benzamide Openeye Name: N-[2-[3-[(4-bromophenyl)methylsulfanyl]indol-1-yl]ethyl]-4-ethoxy-benzamide CAS Name: N-[2-[3-[(4-bromophenyl)methylthio]-1-indolyl]ethyl]-4-ethoxybenzamide IUPAC Name: N-[2-[3-[(4-bromophenyl)methylsulfanyl]indol-1-yl]ethyl]-4-ethoxybenzamide Traditional Name: N-[2-[3-[(4-bromobenzyl)thio]indol-1-yl]ethyl]-4-ethoxy-benzamide Formula: C26H25BrN2O2S MolecularWeight: 509.4579

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C26H25BrN2O2S/c1-2-31-22-13-9-20(10-14-22)26(30)28-15-16-29-17-25(23-5-3-4-6-24(23)29)32-18-19-7-11-21(27)12-8-19/h3-14,17H,2,15-16,18H2,1H3,(H,28,30)