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

Systemtic Name: 4-ethoxy-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-3-nitro-N-[[4-(p-tolyl)thiazol-2-yl]carbamothioyl]benzamide CAS Name: 4-ethoxy-N-[[[4-(4-methylphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-3-nitro-N-[[4-(p-tolyl)thiazol-2-yl]thiocarbamoyl]benzamide Formula: C20H18N4O4S2 MolecularWeight: 442.51132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O4S2/c1-3-28-17-9-8-14(10-16(17)24(26)27)18(25)22-19(29)23-20-21-15(11-30-20)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3,(H2,21,22,23,25,29)