methyl 6-[[methyl-[(1R)-1-(3-nitrophenyl)ethyl]carbamothioyl]amino]hexanoate

Systemtic Name: methyl 6-[[methyl-[(1R)-1-(3-nitrophenyl)ethyl]carbamothioyl]amino]hexanoate Openeye Name: methyl 6-[[methyl-[(1R)-1-(3-nitrophenyl)ethyl]carbamothioyl]amino]hexanoate CAS Name: 6-[[[methyl-[(1R)-1-(3-nitrophenyl)ethyl]amino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[methyl-[(1R)-1-(3-nitrophenyl)ethyl]carbamothioyl]amino]hexanoate Traditional Name: 6-[[methyl-[(1R)-1-(3-nitrophenyl)ethyl]thiocarbamoyl]amino]hexanoic acid methyl ester Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])N(C)C(=S)NCCCCCC(=O)OC

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])N(C)C(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C17H25N3O4S/c1-13(14-8-7-9-15(12-14)20(22)23)19(2)17(25)18-11-6-4-5-10-16(21)24-3/h7-9,12-13H,4-6,10-11H2,1-3H3,(H,18,25)/t13-/m1/s1