N-(4-butylphenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-butylphenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-ethanamide Openeye Name: N-(4-butylphenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-acetamide CAS Name: N-(4-butylphenyl)-2-[[1-[(3-fluorophenyl)methyl]-3-indolyl]thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide Traditional Name: N-(4-butylphenyl)-2-[[1-(3-fluorobenzyl)indol-3-yl]thio]acetamide Formula: C27H27FN2OS MolecularWeight: 446.579483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC(=CC=C4)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC(=CC=C4)F

InChI

InChI=1S/C27H27FN2OS/c1-2-3-7-20-12-14-23(15-13-20)29-27(31)19-32-26-18-30(25-11-5-4-10-24(25)26)17-21-8-6-9-22(28)16-21/h4-6,8-16,18H,2-3,7,17,19H2,1H3,(H,29,31)