N-(5-chloranyl-2,1,3-benzothiadiazol-4-yl)-4-(4-methylpiperidin-1-yl)-3-nitro-benzenecarbothioamide

Systemtic Name: N-(5-chloranyl-2,1,3-benzothiadiazol-4-yl)-4-(4-methylpiperidin-1-yl)-3-nitro-benzenecarbothioamide Openeye Name: N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-(4-methyl-1-piperidyl)-3-nitro-benzenecarbothioamide CAS Name: N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-(4-methyl-1-piperidinyl)-3-nitrobenzenecarbothioamide IUPAC Name: N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-(4-methylpiperidin-1-yl)-3-nitrobenzenecarbothioamide Traditional Name: N-(5-chloropiazthiol-4-yl)-4-(4-methylpiperidino)-3-nitro-thiobenzamide Formula: C19H18ClN5O2S2 MolecularWeight: 447.96152

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=S)NC3=C(C=CC4=NSN=C43)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=S)NC3=C(C=CC4=NSN=C43)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClN5O2S2/c1-11-6-8-24(9-7-11)15-5-2-12(10-16(15)25(26)27)19(28)21-17-13(20)3-4-14-18(17)23-29-22-14/h2-5,10-11H,6-9H2,1H3,(H,21,28)