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

Systemtic Name: 3,4-dimethyl-N-[2-[3-(phenylmethylsulfanyl)indol-1-yl]ethyl]benzamide Openeye Name: N-[2-(3-benzylsulfanylindol-1-yl)ethyl]-3,4-dimethyl-benzamide CAS Name: 3,4-dimethyl-N-[2-[3-(phenylmethylthio)-1-indolyl]ethyl]benzamide IUPAC Name: N-[2-(3-benzylsulfanylindol-1-yl)ethyl]-3,4-dimethylbenzamide Traditional Name: N-[2-[3-(benzylthio)indol-1-yl]ethyl]-3,4-dimethyl-benzamide Formula: C26H26N2OS MolecularWeight: 414.56244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC4=CC=CC=C4)C

InChI

InChI=1S/C26H26N2OS/c1-19-12-13-22(16-20(19)2)26(29)27-14-15-28-17-25(23-10-6-7-11-24(23)28)30-18-21-8-4-3-5-9-21/h3-13,16-17H,14-15,18H2,1-2H3,(H,27,29)