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

Systemtic Name: N-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[[4-(4-bromophenyl)thiazol-2-yl]carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[[4-(4-bromophenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[[4-(4-bromophenyl)thiazol-2-yl]thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C21H18BrN5O4S2 MolecularWeight: 548.43272

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=NC(=CS3)C4=CC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=NC(=CS3)C4=CC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H18BrN5O4S2/c22-15-4-1-13(2-5-15)16-12-33-21(23-16)25-20(32)24-19(28)14-3-6-17(18(11-14)27(29)30)26-7-9-31-10-8-26/h1-6,11-12H,7-10H2,(H2,23,24,25,28,32)