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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=S)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-])OCCN(C)CC2=CC=CC=C2

Isomeric SMILES

CCN(C(=S)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-])OCCN(C)CC2=CC=CC=C2

InChI

InChI=1S/C20H24N4O4S/c1-3-23(28-13-12-22(2)15-16-8-5-4-6-9-16)20(29)21-19(25)17-10-7-11-18(14-17)24(26)27/h4-11,14H,3,12-13,15H2,1-2H3,(H,21,25,29)