N-[(2-methyl-5-nitro-phenyl)carbamothioyl]-3-propoxy-benzamide

Systemtic Name: N-[(2-methyl-5-nitro-phenyl)carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[(2-methyl-5-nitro-phenyl)carbamothioyl]-3-propoxy-benzamide CAS Name: N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[(2-methyl-5-nitrophenyl)carbamothioyl]-3-propoxybenzamide Traditional Name: N-[(2-methyl-5-nitro-phenyl)thiocarbamoyl]-3-propoxy-benzamide Formula: C18H19N3O4S MolecularWeight: 373.42616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])C

InChI

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