3,4-dimethoxy-N-[2-[3-[(2-methylphenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide

Systemtic Name: 3,4-dimethoxy-N-[2-[3-[(2-methylphenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide Openeye Name: 3,4-dimethoxy-N-[2-[3-(o-tolylmethylsulfanyl)indol-1-yl]ethyl]benzamide CAS Name: 3,4-dimethoxy-N-[2-[3-[(2-methylphenyl)methylthio]-1-indolyl]ethyl]benzamide IUPAC Name: 3,4-dimethoxy-N-[2-[3-[(2-methylphenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide Traditional Name: 3,4-dimethoxy-N-[2-[3-[(2-methylbenzyl)thio]indol-1-yl]ethyl]benzamide Formula: C27H28N2O3S MolecularWeight: 460.58782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=CC=C1CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H28N2O3S/c1-19-8-4-5-9-21(19)18-33-26-17-29(23-11-7-6-10-22(23)26)15-14-28-27(30)20-12-13-24(31-2)25(16-20)32-3/h4-13,16-17H,14-15,18H2,1-3H3,(H,28,30)