N-[(2-methyl-5-nitro-phenyl)carbamothioyl]-2-propoxy-benzamide

Systemtic Name: N-[(2-methyl-5-nitro-phenyl)carbamothioyl]-2-propoxy-benzamide Openeye Name: N-[(2-methyl-5-nitro-phenyl)carbamothioyl]-2-propoxy-benzamide CAS Name: N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: N-[(2-methyl-5-nitrophenyl)carbamothioyl]-2-propoxybenzamide Traditional Name: N-[(2-methyl-5-nitro-phenyl)thiocarbamoyl]-2-propoxy-benzamide Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])C

InChI

InChI=1S/C18H19N3O4S/c1-3-10-25-16-7-5-4-6-14(16)17(22)20-18(26)19-15-11-13(21(23)24)9-8-12(15)2/h4-9,11H,3,10H2,1-2H3,(H2,19,20,22,26)