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

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

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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)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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