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

Systemtic Name: 4-chloranyl-N-[(2S)-1-[2-(3-methylbutylcarbamothioyl)hydrazinyl]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(1S)-2-[2-(isopentylcarbamothioyl)hydrazino]-1-methyl-2-oxo-ethyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2S)-1-[[(3-methylbutylamino)-sulfanylidenemethyl]hydrazo]-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2S)-1-[2-(3-methylbutylcarbamothioyl)hydrazinyl]-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(1S)-2-[N'-(isoamylthiocarbamoyl)hydrazino]-2-keto-1-methyl-ethyl]-3-nitro-benzamide Formula: C16H22ClN5O4S MolecularWeight: 415.89498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClN5O4S/c1-9(2)6-7-18-16(27)21-20-14(23)10(3)19-15(24)11-4-5-12(17)13(8-11)22(25)26/h4-5,8-10H,6-7H2,1-3H3,(H,19,24)(H,20,23)(H2,18,21,27)/t10-/m0/s1