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

Systemtic Name: 4-chloranyl-N-[(2S)-1-[2-(ethylcarbamothioyl)hydrazinyl]-3-methyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(1S)-1-[(ethylcarbamothioylamino)carbamoyl]-2-methyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2S)-1-[[ethylamino(sulfanylidene)methyl]hydrazo]-3-methyl-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2S)-1-[2-(ethylcarbamothioyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(1S)-1-[(ethylthiocarbamoylamino)carbamoyl]-2-methyl-propyl]-3-nitro-benzamide Formula: C15H20ClN5O4S MolecularWeight: 401.8684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20ClN5O4S/c1-4-17-15(26)20-19-14(23)12(8(2)3)18-13(22)9-5-6-10(16)11(7-9)21(24)25/h5-8,12H,4H2,1-3H3,(H,18,22)(H,19,23)(H2,17,20,26)/t12-/m0/s1