methyl 4-[[methyl-[(1R)-1-(3-nitrophenyl)ethyl]carbamothioyl]amino]butanoate

Systemtic Name: methyl 4-[[methyl-[(1R)-1-(3-nitrophenyl)ethyl]carbamothioyl]amino]butanoate Openeye Name: methyl 4-[[methyl-[(1R)-1-(3-nitrophenyl)ethyl]carbamothioyl]amino]butanoate CAS Name: 4-[[[methyl-[(1R)-1-(3-nitrophenyl)ethyl]amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[methyl-[(1R)-1-(3-nitrophenyl)ethyl]carbamothioyl]amino]butanoate Traditional Name: 4-[[methyl-[(1R)-1-(3-nitrophenyl)ethyl]thiocarbamoyl]amino]butyric acid methyl ester Formula: C15H21N3O4S MolecularWeight: 339.40994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O4S/c1-11(12-6-4-7-13(10-12)18(20)21)17(2)15(23)16-9-5-8-14(19)22-3/h4,6-7,10-11H,5,8-9H2,1-3H3,(H,16,23)/t11-/m1/s1