N-tert-butyl-2-[(2-chloranyl-5-nitro-phenyl)carbamothioyl-methyl-amino]ethanamide

Systemtic Name: N-tert-butyl-2-[(2-chloranyl-5-nitro-phenyl)carbamothioyl-methyl-amino]ethanamide Openeye Name: N-tert-butyl-2-[(2-chloro-5-nitro-phenyl)carbamothioyl-methyl-amino]acetamide CAS Name: N-tert-butyl-2-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]-methylamino]acetamide IUPAC Name: N-tert-butyl-2-[(2-chloro-5-nitrophenyl)carbamothioyl-methylamino]acetamide Traditional Name: N-tert-butyl-2-[(2-chloro-5-nitro-phenyl)thiocarbamoyl-methyl-amino]acetamide Formula: C14H19ClN4O3S MolecularWeight: 358.84366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN(C)C(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)NC(=O)CN(C)C(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H19ClN4O3S/c1-14(2,3)17-12(20)8-18(4)13(23)16-11-7-9(19(21)22)5-6-10(11)15/h5-7H,8H2,1-4H3,(H,16,23)(H,17,20)