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

Systemtic Name: 3-nitro-N-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-nitro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-sulfanylidenemethyl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-nitro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[(2-keto-1,3-dihydrobenzimidazol-5-yl)thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C19H18N6O4S MolecularWeight: 426.44902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)NC(=O)N4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)NC(=O)N4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N6O4S/c26-17(11-3-6-15(16(9-11)25(28)29)24-7-1-2-8-24)23-19(30)20-12-4-5-13-14(10-12)22-18(27)21-13/h3-6,9-10H,1-2,7-8H2,(H2,21,22,27)(H2,20,23,26,30)