N-(naphthalen-1-ylcarbamothioyl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(naphthalen-1-ylcarbamothioyl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(1-naphthylcarbamothioyl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[(1-naphthalenylamino)-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(naphthalen-1-ylcarbamothioyl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(1-naphthylthiocarbamoyl)-3-nitro-4-pyrrolidino-benzamide Formula: C22H20N4O3S MolecularWeight: 420.4842

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=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O3S/c27-21(16-10-11-19(20(14-16)26(28)29)25-12-3-4-13-25)24-22(30)23-18-9-5-7-15-6-1-2-8-17(15)18/h1-2,5-11,14H,3-4,12-13H2,(H2,23,24,27,30)