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

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodoanilino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C26H22IN5O3S2 MolecularWeight: 643.51905

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)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(CC1)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/C26H22IN5O3S2/c27-17-9-10-19(18(15-17)25-28-20-6-2-3-7-23(20)37-25)29-26(36)30-24(33)16-8-11-21(22(14-16)32(34)35)31-12-4-1-5-13-31/h2-3,6-11,14-15H,1,4-5,12-13H2,(H2,29,30,33,36)