N-[2-[(2,5-dimethylphenyl)carbamothioylamino]cyclopentyl]-N-methyl-4-nitro-benzamide

Systemtic Name: N-[2-[(2,5-dimethylphenyl)carbamothioylamino]cyclopentyl]-N-methyl-4-nitro-benzamide Openeye Name: N-[2-[(2,5-dimethylphenyl)carbamothioylamino]cyclopentyl]-N-methyl-4-nitro-benzamide CAS Name: N-[2-[[(2,5-dimethylanilino)-sulfanylidenemethyl]amino]cyclopentyl]-N-methyl-4-nitrobenzamide IUPAC Name: N-[2-[(2,5-dimethylphenyl)carbamothioylamino]cyclopentyl]-N-methyl-4-nitrobenzamide Traditional Name: N-[2-[(2,5-dimethylphenyl)thiocarbamoylamino]cyclopentyl]-N-methyl-4-nitro-benzamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3S/c1-14-7-8-15(2)19(13-14)24-22(30)23-18-5-4-6-20(18)25(3)21(27)16-9-11-17(12-10-16)26(28)29/h7-13,18,20H,4-6H2,1-3H3,(H2,23,24,30)