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

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodoanilino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C25H20IN5O3S2 MolecularWeight: 629.49247

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=C(C=C(C=C3)I)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=C(C=C(C=C3)I)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C25H20IN5O3S2/c26-16-8-9-18(17(14-16)24-27-19-5-1-2-6-22(19)36-24)28-25(35)29-23(32)15-7-10-20(21(13-15)31(33)34)30-11-3-4-12-30/h1-2,5-10,13-14H,3-4,11-12H2,(H2,28,29,32,35)