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

Systemtic Name: N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[4-[(2-diethylaminoethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]thiocarbamoyl]-2-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)14-13-22-19(27)15-9-11-16(12-10-15)23-21(31)24-20(28)17-7-5-6-8-18(17)26(29)30/h5-12H,3-4,13-14H2,1-2H3,(H,22,27)(H2,23,24,28,31)