4-azanyl-3,5-bis(chloranyl)-N-(1-isothiocyanato-3-methyl-2-oxidanylidene-pentan-3-yl)benzamide

Systemtic Name: 4-azanyl-3,5-bis(chloranyl)-N-(1-isothiocyanato-3-methyl-2-oxidanylidene-pentan-3-yl)benzamide Openeye Name: 4-amino-3,5-dichloro-N-(1-ethyl-3-isothiocyanato-1-methyl-2-oxo-propyl)benzamide CAS Name: 4-amino-3,5-dichloro-N-(1-isothiocyanato-3-methyl-2-oxopentan-3-yl)benzamide IUPAC Name: 4-amino-3,5-dichloro-N-(1-isothiocyanato-3-methyl-2-oxopentan-3-yl)benzamide Traditional Name: 4-amino-3,5-dichloro-N-(1-ethyl-3-isothiocyanato-2-keto-1-methyl-propyl)benzamide Formula: C14H15Cl2N3O2S MolecularWeight: 360.2588

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)CN=C=S)NC(=O)C1=CC(=C(C(=C1)Cl)N)Cl

Isomeric SMILES

CCC(C)(C(=O)CN=C=S)NC(=O)C1=CC(=C(C(=C1)Cl)N)Cl

InChI

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