2-(4-fluorophenyl)-N-(4-methylsulfanylbutan-2-yl)-4-[(1-methyl-4-sulfanyl-pyrrolidin-2-yl)methylamino]benzamide

Systemtic Name: 2-(4-fluorophenyl)-N-(4-methylsulfanylbutan-2-yl)-4-[(1-methyl-4-sulfanyl-pyrrolidin-2-yl)methylamino]benzamide Openeye Name: 2-(4-fluorophenyl)-N-(1-methyl-3-methylsulfanyl-propyl)-4-[(1-methyl-4-sulfanyl-pyrrolidin-2-yl)methylamino]benzamide CAS Name: 2-(4-fluorophenyl)-4-[(4-mercapto-1-methyl-2-pyrrolidinyl)methylamino]-N-[4-(methylthio)butan-2-yl]benzamide IUPAC Name: 2-(4-fluorophenyl)-N-(4-methylsulfanylbutan-2-yl)-4-[(1-methyl-4-sulfanylpyrrolidin-2-yl)methylamino]benzamide Traditional Name: 2-(4-fluorophenyl)-4-[(4-mercapto-1-methyl-pyrrolidin-2-yl)methylamino]-N-[1-methyl-3-(methylthio)propyl]benzamide Formula: C24H32FN3OS2 MolecularWeight: 461.658783

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCSC)NC(=O)C1=C(C=C(C=C1)NCC2CC(CN2C)S)C3=CC=C(C=C3)F

Isomeric SMILES

CC(CCSC)NC(=O)C1=C(C=C(C=C1)NCC2CC(CN2C)S)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H32FN3OS2/c1-16(10-11-31-3)27-24(29)22-9-8-19(26-14-20-13-21(30)15-28(20)2)12-23(22)17-4-6-18(25)7-5-17/h4-9,12,16,20-21,26,30H,10-11,13-15H2,1-3H3,(H,27,29)