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

Systemtic Name: N-(4-butylphenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanyl-ethanamide Openeye Name: N-(4-butylphenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanyl-acetamide CAS Name: N-(4-butylphenyl)-2-[[1-[(4-chlorophenyl)methyl]-3-indolyl]thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]sulfanylacetamide Traditional Name: N-(4-butylphenyl)-2-[[1-(4-chlorobenzyl)indol-3-yl]thio]acetamide Formula: C27H27ClN2OS MolecularWeight: 463.03408

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H27ClN2OS/c1-2-3-6-20-11-15-23(16-12-20)29-27(31)19-32-26-18-30(25-8-5-4-7-24(25)26)17-21-9-13-22(28)14-10-21/h4-5,7-16,18H,2-3,6,17,19H2,1H3,(H,29,31)