3-nitro-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-nitro-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-nitro-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-[[(6-nitro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-nitro-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-nitro-N-[(6-nitro-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-pyrrolidino-benzamide Formula: C19H16N6O5S2 MolecularWeight: 472.49754

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=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H16N6O5S2/c26-17(11-3-6-14(15(9-11)25(29)30)23-7-1-2-8-23)21-18(31)22-19-20-13-5-4-12(24(27)28)10-16(13)32-19/h3-6,9-10H,1-2,7-8H2,(H2,20,21,22,26,31)