4-[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[(4-chlorobenzyl)amino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C16H14ClN3O4S MolecularWeight: 379.81806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H14ClN3O4S/c17-12-4-1-10(2-5-12)8-19-15(21)9-25-14-6-3-11(16(18)22)7-13(14)20(23)24/h1-7H,8-9H2,(H2,18,22)(H,19,21)