N-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[[4-(4-bromophenyl)thiazol-2-yl]carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[[4-(4-bromophenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[[4-(4-bromophenyl)thiazol-2-yl]thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C22H20BrN5O3S2 MolecularWeight: 546.4599

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=NC(=CS3)C4=CC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=NC(=CS3)C4=CC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C22H20BrN5O3S2/c23-16-7-4-14(5-8-16)17-13-33-22(24-17)26-21(32)25-20(29)15-6-9-18(19(12-15)28(30)31)27-10-2-1-3-11-27/h4-9,12-13H,1-3,10-11H2,(H2,24,25,26,29,32)