4-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[ethyl-(3-fluorobenzyl)amino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C18H18FN3O4S MolecularWeight: 391.416623

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=CC=C1)F)C(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC(=CC=C1)F)C(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H18FN3O4S/c1-2-21(10-12-4-3-5-14(19)8-12)17(23)11-27-16-7-6-13(18(20)24)9-15(16)22(25)26/h3-9H,2,10-11H2,1H3,(H2,20,24)