N-[[4-(2-methylprop-2-enoxy)phenyl]carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[[4-(2-methylprop-2-enoxy)phenyl]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[[4-(2-methylallyloxy)phenyl]carbamothioyl]-4-nitro-benzamide CAS Name: N-[[4-(2-methylprop-2-enoxy)anilino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[4-(2-methylprop-2-enoxy)phenyl]carbamothioyl]-4-nitrobenzamide Traditional Name: N-[[4-(2-methylallyloxy)phenyl]thiocarbamoyl]-4-nitro-benzamide Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)COC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=C)COC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4S/c1-12(2)11-25-16-9-5-14(6-10-16)19-18(26)20-17(22)13-3-7-15(8-4-13)21(23)24/h3-10H,1,11H2,2H3,(H2,19,20,22,26)