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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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