N-[2-[2-[methyl-(phenylmethyl)amino]ethoxy]ethylcarbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[2-[2-[methyl-(phenylmethyl)amino]ethoxy]ethylcarbamothioyl]-3-nitro-benzamide Openeye Name: N-[2-[2-[benzyl(methyl)amino]ethoxy]ethylcarbamothioyl]-3-nitro-benzamide CAS Name: N-[[2-[2-[methyl-(phenylmethyl)amino]ethoxy]ethylamino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[2-[2-[benzyl(methyl)amino]ethoxy]ethylcarbamothioyl]-3-nitrobenzamide Traditional Name: N-[2-[2-[benzyl(methyl)amino]ethoxy]ethylthiocarbamoyl]-3-nitro-benzamide Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOCCNC(=S)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

CN(CCOCCNC(=S)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C20H24N4O4S/c1-23(15-16-6-3-2-4-7-16)11-13-28-12-10-21-20(29)22-19(25)17-8-5-9-18(14-17)24(26)27/h2-9,14H,10-13,15H2,1H3,(H2,21,22,25,29)