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

Systemtic Name: 3-bromanyl-4-ethoxy-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[[4-(3-nitrophenyl)thiazol-2-yl]carbamothioyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[[[4-(3-nitrophenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-[[4-(3-nitrophenyl)thiazol-2-yl]thiocarbamoyl]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(=CC=C3)[N+](=O)[O-])Br

Isomeric SMILES

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

InChI

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