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

Systemtic Name: methyl 6-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(2-chloro-5-nitro-phenyl)carbamothioylamino]hexanoate CAS Name: 6-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2-chloro-5-nitrophenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(2-chloro-5-nitro-phenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C14H18ClN3O4S MolecularWeight: 359.82842

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)CCCCCNC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H18ClN3O4S/c1-22-13(19)5-3-2-4-8-16-14(23)17-12-9-10(18(20)21)6-7-11(12)15/h6-7,9H,2-5,8H2,1H3,(H2,16,17,23)