4-chloranyl-N-[1-[2-(2-methylfuran-3-yl)carbonylhydrazinyl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[1-[2-(2-methylfuran-3-yl)carbonylhydrazinyl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[1-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[1-[[(2-methyl-3-furanyl)-oxomethyl]hydrazo]-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[1-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[1-[[(2-methyl-3-furoyl)amino]carbamoyl]-3-(methylthio)propyl]-3-nitro-benzamide Formula: C18H19ClN4O6S MolecularWeight: 454.88466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)NNC(=O)C(CCSC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CO1)C(=O)NNC(=O)C(CCSC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H19ClN4O6S/c1-10-12(5-7-29-10)17(25)21-22-18(26)14(6-8-30-2)20-16(24)11-3-4-13(19)15(9-11)23(27)28/h3-5,7,9,14H,6,8H2,1-2H3,(H,20,24)(H,21,25)(H,22,26)