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

Systemtic Name: N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[4-(4-methoxyphenyl)thiazol-2-yl]carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[[4-(4-methoxyphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[4-(4-methoxyphenyl)thiazol-2-yl]thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C19H16N4O4S2 MolecularWeight: 428.48474

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O4S2/c1-11-14(4-3-5-16(11)23(25)26)17(24)21-18(28)22-19-20-15(10-29-19)12-6-8-13(27-2)9-7-12/h3-10H,1-2H3,(H2,20,21,22,24,28)