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

Systemtic Name: 4-(diethylamino)-N-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide Openeye Name: 4-(diethylamino)-N-[[4-(4-nitrophenyl)thiazol-2-yl]carbamothioyl]benzamide CAS Name: 4-(diethylamino)-N-[[[4-(4-nitrophenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-(diethylamino)-N-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide Traditional Name: 4-(diethylamino)-N-[[4-(4-nitrophenyl)thiazol-2-yl]thiocarbamoyl]benzamide Formula: C21H21N5O3S2 MolecularWeight: 455.55314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O3S2/c1-3-25(4-2)16-9-7-15(8-10-16)19(27)23-20(30)24-21-22-18(13-31-21)14-5-11-17(12-6-14)26(28)29/h5-13H,3-4H2,1-2H3,(H2,22,23,24,27,30)