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

Systemtic Name: 4-chloranyl-N-[(2S)-1-[2-(cyclopentylcarbamothioyl)hydrazinyl]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(1S)-2-[2-(cyclopentylcarbamothioyl)hydrazino]-1-methyl-2-oxo-ethyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2S)-1-[[(cyclopentylamino)-sulfanylidenemethyl]hydrazo]-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2S)-1-[2-(cyclopentylcarbamothioyl)hydrazinyl]-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(1S)-2-[N'-(cyclopentylthiocarbamoyl)hydrazino]-2-keto-1-methyl-ethyl]-3-nitro-benzamide Formula: C16H20ClN5O4S MolecularWeight: 413.8791

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NC1CCCC1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NNC(=S)NC1CCCC1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H20ClN5O4S/c1-9(14(23)20-21-16(27)19-11-4-2-3-5-11)18-15(24)10-6-7-12(17)13(8-10)22(25)26/h6-9,11H,2-5H2,1H3,(H,18,24)(H,20,23)(H2,19,21,27)/t9-/m0/s1