N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-3-nitro-benzamide Openeye Name: N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-3-nitro-benzamide CAS Name: N-[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]-3-nitrobenzamide Traditional Name: N-[(4-butoxy-3-methoxy-benzyl)thiocarbamoyl]-3-nitro-benzamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C20H23N3O5S/c1-3-4-10-28-17-9-8-14(11-18(17)27-2)13-21-20(29)22-19(24)15-6-5-7-16(12-15)23(25)26/h5-9,11-12H,3-4,10,13H2,1-2H3,(H2,21,22,24,29)