N-[(5-chloranyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[(5-chloranyl-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[(5-chloropiazthiol-4-yl)thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C18H15ClN6O3S2 MolecularWeight: 462.9331

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=C(C=CC4=NSN=C43)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=C(C=CC4=NSN=C43)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClN6O3S2/c19-11-4-5-12-16(23-30-22-12)15(11)20-18(29)21-17(26)10-3-6-13(14(9-10)25(27)28)24-7-1-2-8-24/h3-6,9H,1-2,7-8H2,(H2,20,21,26,29)