N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[4-[(2-diethylaminoethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C21H25N5O4S MolecularWeight: 443.5193

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O4S/c1-3-25(4-2)13-12-22-19(27)15-8-10-17(11-9-15)23-21(31)24-20(28)16-6-5-7-18(14-16)26(29)30/h5-11,14H,3-4,12-13H2,1-2H3,(H,22,27)(H2,23,24,28,31)