4-[2-[[3-chloranyl-2-(dimethylamino)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[[3-chloranyl-2-(dimethylamino)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[3-chloro-2-(dimethylamino)anilino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[3-chloro-2-(dimethylamino)anilino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[3-chloro-2-(dimethylamino)anilino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[3-chloro-2-(dimethylamino)anilino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C17H17ClN4O4S MolecularWeight: 408.85928

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC=C1Cl)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=CC=C1Cl)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H17ClN4O4S/c1-21(2)16-11(18)4-3-5-12(16)20-15(23)9-27-14-7-6-10(17(19)24)8-13(14)22(25)26/h3-8H,9H2,1-2H3,(H2,19,24)(H,20,23)