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

Systemtic Name: N-[[4-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[4-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[4-[(dipropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[4-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[4-(dipropylcarbamoyl)phenyl]thiocarbamoyl]-2-nitro-benzamide Formula: C21H24N4O4S MolecularWeight: 428.50466

Click to see the large picture

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