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

Systemtic Name: [3-[[4-azanyl-3-chloranyl-5-[(E)-methoxyiminomethyl]phenyl]carbonylamino]-3-methyl-2-oxidanylidene-pentyl] thiocyanate Openeye Name: [3-[[4-amino-3-chloro-5-[(E)-methoxyiminomethyl]benzoyl]amino]-3-methyl-2-oxo-pentyl] thiocyanate CAS Name: thiocyanic acid [3-[[[4-amino-3-chloro-5-[(E)-methoxyiminomethyl]phenyl]-oxomethyl]amino]-3-methyl-2-oxopentyl] ester IUPAC Name: [3-[[4-amino-3-chloro-5-[(E)-methoxyiminomethyl]benzoyl]amino]-3-methyl-2-oxopentyl] thiocyanate Traditional Name: thiocyanic acid [3-[[4-amino-3-chloro-5-[(E)-methyloximinomethyl]benzoyl]amino]-2-keto-3-methyl-pentyl] ester Formula: C16H19ClN4O3S MolecularWeight: 382.86506

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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)C=NOC

Isomeric SMILES

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

InChI

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