[3-[[4-azanyl-3,5-bis(chloranyl)phenyl]carbonylamino]-3-methyl-2-oxidanylidene-pentyl] thiocyanate

Systemtic Name: [3-[[4-azanyl-3,5-bis(chloranyl)phenyl]carbonylamino]-3-methyl-2-oxidanylidene-pentyl] thiocyanate Openeye Name: [3-[(4-amino-3,5-dichloro-benzoyl)amino]-3-methyl-2-oxo-pentyl] thiocyanate CAS Name: thiocyanic acid [3-[[(4-amino-3,5-dichlorophenyl)-oxomethyl]amino]-3-methyl-2-oxopentyl] ester IUPAC Name: [3-[(4-amino-3,5-dichlorobenzoyl)amino]-3-methyl-2-oxopentyl] thiocyanate Traditional Name: thiocyanic acid [3-[(4-amino-3,5-dichloro-benzoyl)amino]-2-keto-3-methyl-pentyl] ester Formula: C14H15Cl2N3O2S MolecularWeight: 360.2588

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)CSC#N)NC(=O)C1=CC(=C(C(=C1)Cl)N)Cl

Isomeric SMILES

CCC(C)(C(=O)CSC#N)NC(=O)C1=CC(=C(C(=C1)Cl)N)Cl

InChI

InChI=1S/C14H15Cl2N3O2S/c1-3-14(2,11(20)6-22-7-17)19-13(21)8-4-9(15)12(18)10(16)5-8/h4-5H,3,6,18H2,1-2H3,(H,19,21)