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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC2CCCC2N(C)C(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC2CCCC2N(C)C(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

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