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

Systemtic Name: 3-nitro-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-nitro-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-[[(2-phenyl-1,3-benzoxazol-5-yl)amino]-sulfanylidenemethyl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-nitro-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-nitro-N-[(2-phenyl-1,3-benzoxazol-5-yl)thiocarbamoyl]-4-pyrrolidino-benzamide Formula: C25H21N5O4S MolecularWeight: 487.53034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H21N5O4S/c31-23(17-8-10-20(21(14-17)30(32)33)29-12-4-5-13-29)28-25(35)26-18-9-11-22-19(15-18)27-24(34-22)16-6-2-1-3-7-16/h1-3,6-11,14-15H,4-5,12-13H2,(H2,26,28,31,35)