4-chloranyl-N-[1-[(6-methoxypyridin-3-yl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[1-[(6-methoxypyridin-3-yl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[1-[(6-methoxy-3-pyridyl)carbamoyl]-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[1-[(6-methoxy-3-pyridinyl)amino]-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[1-[(6-methoxypyridin-3-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[1-[(6-methoxy-3-pyridyl)carbamoyl]-3-(methylthio)propyl]-3-nitro-benzamide Formula: C18H19ClN4O5S MolecularWeight: 438.88526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)NC(=O)C(CCSC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=NC=C(C=C1)NC(=O)C(CCSC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H19ClN4O5S/c1-28-16-6-4-12(10-20-16)21-18(25)14(7-8-29-2)22-17(24)11-3-5-13(19)15(9-11)23(26)27/h3-6,9-10,14H,7-8H2,1-2H3,(H,21,25)(H,22,24)