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

Systemtic Name: 3-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-[[(2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-nitro-N-[(2-phenylbenzotriazol-5-yl)thiocarbamoyl]-4-pyrrolidino-benzamide Formula: C24H21N7O3S MolecularWeight: 487.53364

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H21N7O3S/c32-23(16-8-11-21(22(14-16)31(33)34)29-12-4-5-13-29)26-24(35)25-17-9-10-19-20(15-17)28-30(27-19)18-6-2-1-3-7-18/h1-3,6-11,14-15H,4-5,12-13H2,(H2,25,26,32,35)