N-(2,3-dimethylphenyl)-2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanyl-ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanyl-acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[[1-[(2,5-dimethylphenyl)methyl]-3-indolyl]thio]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanylacetamide Traditional Name: 2-[[1-(2,5-dimethylbenzyl)indol-3-yl]thio]-N-(2,3-dimethylphenyl)acetamide Formula: C27H28N2OS MolecularWeight: 428.58902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C=C(C3=CC=CC=C32)SCC(=O)NC4=CC=CC(=C4C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C=C(C3=CC=CC=C32)SCC(=O)NC4=CC=CC(=C4C)C

InChI

InChI=1S/C27H28N2OS/c1-18-12-13-20(3)22(14-18)15-29-16-26(23-9-5-6-11-25(23)29)31-17-27(30)28-24-10-7-8-19(2)21(24)4/h5-14,16H,15,17H2,1-4H3,(H,28,30)