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

Systemtic Name: N-[2-[(4-chlorophenyl)carbamothioylamino]cyclopentyl]-N-methyl-4-nitro-benzamide Openeye Name: N-[2-[(4-chlorophenyl)carbamothioylamino]cyclopentyl]-N-methyl-4-nitro-benzamide CAS Name: N-[2-[[(4-chloroanilino)-sulfanylidenemethyl]amino]cyclopentyl]-N-methyl-4-nitrobenzamide IUPAC Name: N-[2-[(4-chlorophenyl)carbamothioylamino]cyclopentyl]-N-methyl-4-nitrobenzamide Traditional Name: N-[2-[(4-chlorophenyl)thiocarbamoylamino]cyclopentyl]-N-methyl-4-nitro-benzamide Formula: C20H21ClN4O3S MolecularWeight: 432.92374

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCC1NC(=S)NC2=CC=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C1CCCC1NC(=S)NC2=CC=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN4O3S/c1-24(19(26)13-5-11-16(12-6-13)25(27)28)18-4-2-3-17(18)23-20(29)22-15-9-7-14(21)8-10-15/h5-12,17-18H,2-4H2,1H3,(H2,22,23,29)