N-[2-(cyclohexen-1-yl)ethyl-(4-oxidanylbutyl)carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl-(4-oxidanylbutyl)carbamothioyl]-2-nitro-benzamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)carbamothioyl]-2-nitro-benzamide CAS Name: N-[[2-(1-cyclohexenyl)ethyl-(4-hydroxybutyl)amino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)carbamothioyl]-2-nitrobenzamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)thiocarbamoyl]-2-nitro-benzamide Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN(CCCCO)C(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1CCC(=CC1)CCN(CCCCO)C(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O4S/c24-15-7-6-13-22(14-12-16-8-2-1-3-9-16)20(28)21-19(25)17-10-4-5-11-18(17)23(26)27/h4-5,8,10-11,24H,1-3,6-7,9,12-15H2,(H,21,25,28)