4-chloranyl-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzenecarbothioamide

Systemtic Name: 4-chloranyl-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzenecarbothioamide Openeye Name: 4-chloro-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzenecarbothioamide CAS Name: 4-chloro-2-nitro-N-[2-(1-pyrrolidinyl)ethyl]benzenecarbothioamide IUPAC Name: 4-chloro-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzenecarbothioamide Traditional Name: 4-chloro-2-nitro-N-(2-pyrrolidinoethyl)thiobenzamide Formula: C13H16ClN3O2S MolecularWeight: 313.80304

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNC(=S)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CCNC(=S)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H16ClN3O2S/c14-10-3-4-11(12(9-10)17(18)19)13(20)15-5-8-16-6-1-2-7-16/h3-4,9H,1-2,5-8H2,(H,15,20)