N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[4-[(2-diethylaminoethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C21H24N6O6S MolecularWeight: 488.51686

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O6S/c1-3-25(4-2)10-9-22-19(28)14-5-7-16(8-6-14)23-21(34)24-20(29)15-11-17(26(30)31)13-18(12-15)27(32)33/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,22,28)(H2,23,24,29,34)