4-[[2,5-bis(chloranyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: 4-[[2,5-bis(chloranyl)phenyl]carbamothioylamino]butanoate Openeye Name: 4-[(2,5-dichlorophenyl)carbamothioylamino]butanoate CAS Name: 4-[[(2,5-dichloroanilino)-sulfanylidenemethyl]amino]butanoate IUPAC Name: 4-[(2,5-dichlorophenyl)carbamothioylamino]butanoate Traditional Name: 4-[(2,5-dichlorophenyl)thiocarbamoylamino]butyrate Formula: C11H11Cl2N2O2S- MolecularWeight: 306.18824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)NC(=S)NCCCC(=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1Cl)NC(=S)NCCCC(=O)[O-])Cl

InChI

InChI=1S/C11H12Cl2N2O2S/c12-7-3-4-8(13)9(6-7)15-11(18)14-5-1-2-10(16)17/h3-4,6H,1-2,5H2,(H,16,17)(H2,14,15,18)/p-1