N-[(2-chloranyl-5-nitro-phenyl)methyl]-5-(2,2-dimethylpropanoylamino)-N,3-dimethyl-thiophene-2-carboxamide

Systemtic Name: N-[(2-chloranyl-5-nitro-phenyl)methyl]-5-(2,2-dimethylpropanoylamino)-N,3-dimethyl-thiophene-2-carboxamide Openeye Name: N-[(2-chloro-5-nitro-phenyl)methyl]-5-(2,2-dimethylpropanoylamino)-N,3-dimethyl-thiophene-2-carboxamide CAS Name: N-[(2-chloro-5-nitrophenyl)methyl]-5-[(2,2-dimethyl-1-oxopropyl)amino]-N,3-dimethyl-2-thiophenecarboxamide IUPAC Name: N-[(2-chloro-5-nitrophenyl)methyl]-5-(2,2-dimethylpropanoylamino)-N,3-dimethylthiophene-2-carboxamide Traditional Name: N-(2-chloro-5-nitro-benzyl)-N,3-dimethyl-5-(pivaloylamino)thiophene-2-carboxamide Formula: C19H22ClN3O4S MolecularWeight: 423.91368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)N(C)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)N(C)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H22ClN3O4S/c1-11-8-15(21-18(25)19(2,3)4)28-16(11)17(24)22(5)10-12-9-13(23(26)27)6-7-14(12)20/h6-9H,10H2,1-5H3,(H,21,25)