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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)Br)[N+](=O)[O-]

InChI

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