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

Systemtic Name: 3-nitro-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-nitro-N-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-[[[2-(3-pyridinyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-nitro-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-nitro-N-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-pyrrolidino-benzamide Formula: C24H20N6O4S MolecularWeight: 488.5184

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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=CN=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=CN=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H20N6O4S/c31-22(15-5-7-19(20(12-15)30(32)33)29-10-1-2-11-29)28-24(35)26-17-6-8-21-18(13-17)27-23(34-21)16-4-3-9-25-14-16/h3-9,12-14H,1-2,10-11H2,(H2,26,28,31,35)