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

Systemtic Name: 2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[1-[(2,5-dimethylphenyl)methyl]-3-indolyl]thio]-N-phenethylacetamide IUPAC Name: 2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[1-(2,5-dimethylbenzyl)indol-3-yl]thio]-N-phenethyl-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)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C=C(C3=CC=CC=C32)SCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H28N2OS/c1-20-12-13-21(2)23(16-20)17-29-18-26(24-10-6-7-11-25(24)29)31-19-27(30)28-15-14-22-8-4-3-5-9-22/h3-13,16,18H,14-15,17,19H2,1-2H3,(H,28,30)