N-methyl-N-[2-[(4-methylphenyl)carbamothioylamino]cyclopentyl]-2-nitro-benzamide

Systemtic Name: N-methyl-N-[2-[(4-methylphenyl)carbamothioylamino]cyclopentyl]-2-nitro-benzamide Openeye Name: N-methyl-2-nitro-N-[2-(p-tolylcarbamothioylamino)cyclopentyl]benzamide CAS Name: N-methyl-N-[2-[[(4-methylanilino)-sulfanylidenemethyl]amino]cyclopentyl]-2-nitrobenzamide IUPAC Name: N-methyl-N-[2-[(4-methylphenyl)carbamothioylamino]cyclopentyl]-2-nitrobenzamide Traditional Name: N-methyl-2-nitro-N-[2-(p-tolylthiocarbamoylamino)cyclopentyl]benzamide Formula: C21H24N4O3S MolecularWeight: 412.50526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC2CCCC2N(C)C(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC2CCCC2N(C)C(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O3S/c1-14-10-12-15(13-11-14)22-21(29)23-17-7-5-9-19(17)24(2)20(26)16-6-3-4-8-18(16)25(27)28/h3-4,6,8,10-13,17,19H,5,7,9H2,1-2H3,(H2,22,23,29)