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

Systemtic Name: 4-chloranyl-N-[(2S)-3-methyl-1-oxidanylidene-1-[2-(propan-2-ylcarbamothioyl)hydrazinyl]butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(1S)-1-[(isopropylcarbamothioylamino)carbamoyl]-2-methyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2S)-3-methyl-1-oxo-1-[[(propan-2-ylamino)-sulfanylidenemethyl]hydrazo]butan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2S)-3-methyl-1-oxo-1-[2-(propan-2-ylcarbamothioyl)hydrazinyl]butan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(1S)-1-[(isopropylthiocarbamoylamino)carbamoyl]-2-methyl-propyl]-3-nitro-benzamide Formula: C16H22ClN5O4S MolecularWeight: 415.89498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClN5O4S/c1-8(2)13(15(24)20-21-16(27)18-9(3)4)19-14(23)10-5-6-11(17)12(7-10)22(25)26/h5-9,13H,1-4H3,(H,19,23)(H,20,24)(H2,18,21,27)/t13-/m0/s1