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

Systemtic Name: 3,4-dimethyl-N-[2-[3-[(3-methylphenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide Openeye Name: 3,4-dimethyl-N-[2-[3-(m-tolylmethylsulfanyl)indol-1-yl]ethyl]benzamide CAS Name: 3,4-dimethyl-N-[2-[3-[(3-methylphenyl)methylthio]-1-indolyl]ethyl]benzamide IUPAC Name: 3,4-dimethyl-N-[2-[3-[(3-methylphenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide Traditional Name: 3,4-dimethyl-N-[2-[3-[(3-methylbenzyl)thio]indol-1-yl]ethyl]benzamide Formula: C27H28N2OS MolecularWeight: 428.58902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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