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

Systemtic Name: N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[[4-(3,4-dimethoxyphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C20H18N4O5S2 MolecularWeight: 458.51072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O5S2/c1-11-13(5-4-6-15(11)24(26)27)18(25)22-19(30)23-20-21-14(10-31-20)12-7-8-16(28-2)17(9-12)29-3/h4-10H,1-3H3,(H2,21,22,23,25,30)