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

Systemtic Name: N-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[[4-(4-bromophenyl)thiazol-2-yl]carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[[4-(4-bromophenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[[4-(4-bromophenyl)thiazol-2-yl]thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C19H15BrN4O4S2 MolecularWeight: 507.3808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H15BrN4O4S2/c1-2-28-16-8-5-12(9-15(16)24(26)27)17(25)22-18(29)23-19-21-14(10-30-19)11-3-6-13(20)7-4-11/h3-10H,2H2,1H3,(H2,21,22,23,25,29)