N-[2-[2-[(2-ethyl-6-methyl-phenyl)carbamothioyl]hydrazinyl]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[2-[(2-ethyl-6-methyl-phenyl)carbamothioyl]hydrazinyl]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[2-[(2-ethyl-6-methyl-phenyl)carbamothioyl]hydrazino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]hydrazo]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[2-[(2-ethyl-6-methylphenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-[N'-[(2-ethyl-6-methyl-phenyl)thiocarbamoyl]hydrazino]-2-keto-ethyl]-3-nitro-benzamide Formula: C19H21N5O4S MolecularWeight: 415.46614

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C19H21N5O4S/c1-3-13-7-4-6-12(2)17(13)21-19(29)23-22-16(25)11-20-18(26)14-8-5-9-15(10-14)24(27)28/h4-10H,3,11H2,1-2H3,(H,20,26)(H,22,25)(H2,21,23,29)