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

Systemtic Name: N-[2-[3-[(3-fluorophenyl)methylsulfanyl]indol-1-yl]ethyl]-3,4-dimethyl-benzamide Openeye Name: N-[2-[3-[(3-fluorophenyl)methylsulfanyl]indol-1-yl]ethyl]-3,4-dimethyl-benzamide CAS Name: N-[2-[3-[(3-fluorophenyl)methylthio]-1-indolyl]ethyl]-3,4-dimethylbenzamide IUPAC Name: N-[2-[3-[(3-fluorophenyl)methylsulfanyl]indol-1-yl]ethyl]-3,4-dimethylbenzamide Traditional Name: N-[2-[3-[(3-fluorobenzyl)thio]indol-1-yl]ethyl]-3,4-dimethyl-benzamide Formula: C26H25FN2OS MolecularWeight: 432.552903

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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)F)C

Isomeric SMILES

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

InChI

InChI=1S/C26H25FN2OS/c1-18-10-11-21(14-19(18)2)26(30)28-12-13-29-16-25(23-8-3-4-9-24(23)29)31-17-20-6-5-7-22(27)15-20/h3-11,14-16H,12-13,17H2,1-2H3,(H,28,30)