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

Systemtic Name: N-methyl-4-nitro-N-[2-(phenylcarbamothioylamino)cyclopentyl]benzamide Openeye Name: N-methyl-4-nitro-N-[2-(phenylcarbamothioylamino)cyclopentyl]benzamide CAS Name: N-[2-[[anilino(sulfanylidene)methyl]amino]cyclopentyl]-N-methyl-4-nitrobenzamide IUPAC Name: N-methyl-4-nitro-N-[2-(phenylcarbamothioylamino)cyclopentyl]benzamide Traditional Name: N-methyl-4-nitro-N-[2-(phenylthiocarbamoylamino)cyclopentyl]benzamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S/c1-23(19(25)14-10-12-16(13-11-14)24(26)27)18-9-5-8-17(18)22-20(28)21-15-6-3-2-4-7-15/h2-4,6-7,10-13,17-18H,5,8-9H2,1H3,(H2,21,22,28)