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

Systemtic Name: N-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[3-[(dipropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[3-(dipropylcarbamoyl)phenyl]thiocarbamoyl]-2-nitro-benzamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4S/c1-3-12-24(13-4-2)20(27)15-8-7-9-16(14-15)22-21(30)23-19(26)17-10-5-6-11-18(17)25(28)29/h5-11,14H,3-4,12-13H2,1-2H3,(H2,22,23,26,30)