2-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]ethanamide

Systemtic Name: 2-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]ethanamide Openeye Name: 2-[2-(4-chloroanilino)-2-oxo-ethyl]sulfanyl-N-[(2-hydroxy-5-nitro-phenyl)methyl]acetamide CAS Name: 2-[[2-(4-chloroanilino)-2-oxoethyl]thio]-N-[(2-hydroxy-5-nitrophenyl)methyl]acetamide IUPAC Name: 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-N-[(2-hydroxy-5-nitrophenyl)methyl]acetamide Traditional Name: 2-[[2-(4-chloroanilino)-2-keto-ethyl]thio]-N-(2-hydroxy-5-nitro-benzyl)acetamide Formula: C17H16ClN3O5S MolecularWeight: 409.84404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CSCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O)Cl

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CSCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O)Cl

InChI

InChI=1S/C17H16ClN3O5S/c18-12-1-3-13(4-2-12)20-17(24)10-27-9-16(23)19-8-11-7-14(21(25)26)5-6-15(11)22/h1-7,22H,8-10H2,(H,19,23)(H,20,24)