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

Systemtic Name: N-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[[4-(4-bromophenyl)thiazol-2-yl]carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[[4-(4-bromophenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[[4-(4-bromophenyl)thiazol-2-yl]thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C18H13BrN4O4S2 MolecularWeight: 493.35422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H13BrN4O4S2/c1-27-15-7-4-11(8-14(15)23(25)26)16(24)21-17(28)22-18-20-13(9-29-18)10-2-5-12(19)6-3-10/h2-9H,1H3,(H2,20,21,22,24,28)