4-azanyl-3-chloranyl-N-(1-isothiocyanato-3-methyl-2-oxidanylidene-pentan-3-yl)-5-[(E)-methoxyiminomethyl]benzamide

Systemtic Name: 4-azanyl-3-chloranyl-N-(1-isothiocyanato-3-methyl-2-oxidanylidene-pentan-3-yl)-5-[(E)-methoxyiminomethyl]benzamide Openeye Name: 4-amino-3-chloro-N-(1-ethyl-3-isothiocyanato-1-methyl-2-oxo-propyl)-5-[(E)-methoxyiminomethyl]benzamide CAS Name: 4-amino-3-chloro-N-(1-isothiocyanato-3-methyl-2-oxopentan-3-yl)-5-[(E)-methoxyiminomethyl]benzamide IUPAC Name: 4-amino-3-chloro-N-(1-isothiocyanato-3-methyl-2-oxopentan-3-yl)-5-[(E)-methoxyiminomethyl]benzamide Traditional Name: 4-amino-3-chloro-N-(1-ethyl-3-isothiocyanato-2-keto-1-methyl-propyl)-5-[(E)-methyloximinomethyl]benzamide Formula: C16H19ClN4O3S MolecularWeight: 382.86506

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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)C=NOC

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN4O3S/c1-4-16(2,13(22)8-19-9-25)21-15(23)10-5-11(7-20-24-3)14(18)12(17)6-10/h5-7H,4,8,18H2,1-3H3,(H,21,23)/b20-7+