3,5-bis(bromanyl)-2-methoxy-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide

Systemtic Name: 3,5-bis(bromanyl)-2-methoxy-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide Openeye Name: 3,5-dibromo-2-methoxy-N-[[4-(3-nitrophenyl)thiazol-2-yl]carbamothioyl]benzamide CAS Name: 3,5-dibromo-2-methoxy-N-[[[4-(3-nitrophenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dibromo-2-methoxy-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide Traditional Name: 3,5-dibromo-2-methoxy-N-[[4-(3-nitrophenyl)thiazol-2-yl]thiocarbamoyl]benzamide Formula: C18H12Br2N4O4S2 MolecularWeight: 572.25028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])Br)Br

InChI

InChI=1S/C18H12Br2N4O4S2/c1-28-15-12(6-10(19)7-13(15)20)16(25)22-17(29)23-18-21-14(8-30-18)9-3-2-4-11(5-9)24(26)27/h2-8H,1H3,(H2,21,22,23,25,29)