N-[2-[3-[(2,5-dimethylphenyl)methylsulfanyl]indol-1-yl]ethyl]-2-methyl-benzamide

Systemtic Name: N-[2-[3-[(2,5-dimethylphenyl)methylsulfanyl]indol-1-yl]ethyl]-2-methyl-benzamide Openeye Name: N-[2-[3-[(2,5-dimethylphenyl)methylsulfanyl]indol-1-yl]ethyl]-2-methyl-benzamide CAS Name: N-[2-[3-[(2,5-dimethylphenyl)methylthio]-1-indolyl]ethyl]-2-methylbenzamide IUPAC Name: N-[2-[3-[(2,5-dimethylphenyl)methylsulfanyl]indol-1-yl]ethyl]-2-methylbenzamide Traditional Name: N-[2-[3-[(2,5-dimethylbenzyl)thio]indol-1-yl]ethyl]-2-methyl-benzamide Formula: C27H28N2OS MolecularWeight: 428.58902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=CC=C4C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=CC=C4C

InChI

InChI=1S/C27H28N2OS/c1-19-12-13-20(2)22(16-19)18-31-26-17-29(25-11-7-6-10-24(25)26)15-14-28-27(30)23-9-5-4-8-21(23)3/h4-13,16-17H,14-15,18H2,1-3H3,(H,28,30)