2-[(2-azanyl-3-sulfanyl-propyl)amino]-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide

Systemtic Name: 2-[(2-azanyl-3-sulfanyl-propyl)amino]-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide Openeye Name: 2-[(2-amino-3-sulfanyl-propyl)amino]-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide CAS Name: 2-[(2-amino-3-mercaptopropyl)amino]-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide IUPAC Name: 2-[(2-amino-3-sulfanylpropyl)amino]-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide Traditional Name: 2-[(2-amino-3-mercapto-propyl)amino]-3-methyl-N-[4-(trifluoromethyl)benzyl]valeramide Formula: C17H26F3N3OS MolecularWeight: 377.46805

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC1=CC=C(C=C1)C(F)(F)F)NCC(CS)N

Isomeric SMILES

CCC(C)C(C(=O)NCC1=CC=C(C=C1)C(F)(F)F)NCC(CS)N

InChI

InChI=1S/C17H26F3N3OS/c1-3-11(2)15(22-9-14(21)10-25)16(24)23-8-12-4-6-13(7-5-12)17(18,19)20/h4-7,11,14-15,22,25H,3,8-10,21H2,1-2H3,(H,23,24)