4-butoxy-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide

Systemtic Name: 4-butoxy-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[[4-(3-nitrophenyl)thiazol-2-yl]carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[[4-(3-nitrophenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[[4-(3-nitrophenyl)thiazol-2-yl]thiocarbamoyl]benzamide Formula: C21H20N4O4S2 MolecularWeight: 456.5379

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O4S2/c1-2-3-11-29-17-9-7-14(8-10-17)19(26)23-20(30)24-21-22-18(13-31-21)15-5-4-6-16(12-15)25(27)28/h4-10,12-13H,2-3,11H2,1H3,(H2,22,23,24,26,30)