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

Systemtic Name: 4-chloranyl-N-[1-[(4-fluorophenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[1-[(4-fluorophenyl)methylcarbamoyl]-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[1-[(4-fluorophenyl)methylamino]-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[1-[(4-fluorophenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[1-[(4-fluorobenzyl)carbamoyl]-3-(methylthio)propyl]-3-nitro-benzamide Formula: C19H19ClFN3O4S MolecularWeight: 439.888263

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CC=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CSCCC(C(=O)NCC1=CC=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClFN3O4S/c1-29-9-8-16(19(26)22-11-12-2-5-14(21)6-3-12)23-18(25)13-4-7-15(20)17(10-13)24(27)28/h2-7,10,16H,8-9,11H2,1H3,(H,22,26)(H,23,25)