N-[2-[2-[(2,3-dimethylphenyl)carbamothioyl]hydrazinyl]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[2-[(2,3-dimethylphenyl)carbamothioyl]hydrazinyl]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[2-[(2,3-dimethylphenyl)carbamothioyl]hydrazino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[[(2,3-dimethylanilino)-sulfanylidenemethyl]hydrazo]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[2-[(2,3-dimethylphenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-[N'-[(2,3-dimethylphenyl)thiocarbamoyl]hydrazino]-2-keto-ethyl]-3-nitro-benzamide Formula: C18H19N5O4S MolecularWeight: 401.43956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)NNC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)NNC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C18H19N5O4S/c1-11-5-3-8-15(12(11)2)20-18(28)22-21-16(24)10-19-17(25)13-6-4-7-14(9-13)23(26)27/h3-9H,10H2,1-2H3,(H,19,25)(H,21,24)(H2,20,22,28)