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

Systemtic Name: N-(4-butylphenyl)-2-[1-[(3-methylphenyl)methyl]indol-3-yl]sulfanyl-ethanamide Openeye Name: N-(4-butylphenyl)-2-[1-(m-tolylmethyl)indol-3-yl]sulfanyl-acetamide CAS Name: N-(4-butylphenyl)-2-[[1-[(3-methylphenyl)methyl]-3-indolyl]thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-[1-[(3-methylphenyl)methyl]indol-3-yl]sulfanylacetamide Traditional Name: N-(4-butylphenyl)-2-[[1-(3-methylbenzyl)indol-3-yl]thio]acetamide Formula: C28H30N2OS MolecularWeight: 442.6156

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2OS/c1-3-4-9-22-13-15-24(16-14-22)29-28(31)20-32-27-19-30(26-12-6-5-11-25(26)27)18-23-10-7-8-21(2)17-23/h5-8,10-17,19H,3-4,9,18,20H2,1-2H3,(H,29,31)