N-[2-[(3,5-dimethylphenyl)carbamothioylamino]cyclopentyl]-N-methyl-2-nitro-benzamide

Systemtic Name: N-[2-[(3,5-dimethylphenyl)carbamothioylamino]cyclopentyl]-N-methyl-2-nitro-benzamide Openeye Name: N-[2-[(3,5-dimethylphenyl)carbamothioylamino]cyclopentyl]-N-methyl-2-nitro-benzamide CAS Name: N-[2-[[(3,5-dimethylanilino)-sulfanylidenemethyl]amino]cyclopentyl]-N-methyl-2-nitrobenzamide IUPAC Name: N-[2-[(3,5-dimethylphenyl)carbamothioylamino]cyclopentyl]-N-methyl-2-nitrobenzamide Traditional Name: N-[2-[(3,5-dimethylphenyl)thiocarbamoylamino]cyclopentyl]-N-methyl-2-nitro-benzamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3S/c1-14-11-15(2)13-16(12-14)23-22(30)24-18-8-6-10-20(18)25(3)21(27)17-7-4-5-9-19(17)26(28)29/h4-5,7,9,11-13,18,20H,6,8,10H2,1-3H3,(H2,23,24,30)