methyl 6-[(2-methyl-5-nitro-phenyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(2-methyl-5-nitro-phenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(2-methyl-5-nitro-phenyl)carbamothioylamino]hexanoate CAS Name: 6-[[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2-methyl-5-nitrophenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(2-methyl-5-nitro-phenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C15H21N3O4S MolecularWeight: 339.40994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C15H21N3O4S/c1-11-7-8-12(18(20)21)10-13(11)17-15(23)16-9-5-3-4-6-14(19)22-2/h7-8,10H,3-6,9H2,1-2H3,(H2,16,17,23)