4-chloranyl-N-[4-(dimethylamino)butyl]-2-nitro-benzenecarbothioamide

Systemtic Name: 4-chloranyl-N-[4-(dimethylamino)butyl]-2-nitro-benzenecarbothioamide Openeye Name: 4-chloro-N-[4-(dimethylamino)butyl]-2-nitro-benzenecarbothioamide CAS Name: 4-chloro-N-[4-(dimethylamino)butyl]-2-nitrobenzenecarbothioamide IUPAC Name: 4-chloro-N-[4-(dimethylamino)butyl]-2-nitrobenzenecarbothioamide Traditional Name: 4-chloro-N-[4-(dimethylamino)butyl]-2-nitro-thiobenzamide Formula: C13H18ClN3O2S MolecularWeight: 315.81892

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCNC(=S)C1=C(C=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCCCNC(=S)C1=C(C=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H18ClN3O2S/c1-16(2)8-4-3-7-15-13(20)11-6-5-10(14)9-12(11)17(18)19/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,20)