3-nitro-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-nitro-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-nitro-N-[[4-(4-pyridylmethyl)phenyl]carbamothioyl]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-[[4-(pyridin-4-ylmethyl)anilino]-sulfanylidenemethyl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-nitro-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-nitro-N-[[4-(4-pyridylmethyl)phenyl]thiocarbamoyl]-4-pyrrolidino-benzamide Formula: C24H23N5O3S MolecularWeight: 461.53612

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)CC4=CC=NC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)CC4=CC=NC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H23N5O3S/c30-23(19-5-8-21(22(16-19)29(31)32)28-13-1-2-14-28)27-24(33)26-20-6-3-17(4-7-20)15-18-9-11-25-12-10-18/h3-12,16H,1-2,13-15H2,(H2,26,27,30,33)