N-[(2S)-1-[2-(3-methylbutylcarbamothioyl)hydrazinyl]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide

Systemtic Name: N-[(2S)-1-[2-(3-methylbutylcarbamothioyl)hydrazinyl]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1S)-2-[2-(isopentylcarbamothioyl)hydrazino]-1-methyl-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[(2S)-1-[[(3-methylbutylamino)-sulfanylidenemethyl]hydrazo]-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2S)-1-[2-(3-methylbutylcarbamothioyl)hydrazinyl]-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1S)-2-[N'-(isoamylthiocarbamoyl)hydrazino]-2-keto-1-methyl-ethyl]-3-nitro-benzamide Formula: C16H23N5O4S MolecularWeight: 381.44992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=O)C(C)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NNC(=S)NCCC(C)C)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C16H23N5O4S/c1-10(2)7-8-17-16(26)20-19-14(22)11(3)18-15(23)12-5-4-6-13(9-12)21(24)25/h4-6,9-11H,7-8H2,1-3H3,(H,18,23)(H,19,22)(H2,17,20,26)/t11-/m0/s1