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

Systemtic Name: N-[[4-(dipropylcarbamoyl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[4-(dipropylcarbamoyl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[4-[(dipropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[4-(dipropylcarbamoyl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[4-(dipropylcarbamoyl)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC=C(C=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)15-8-10-17(11-9-15)22-21(30)23-19(26)16-6-5-7-18(14-16)25(28)29/h5-11,14H,3-4,12-13H2,1-2H3,(H2,22,23,26,30)