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

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl-(4-oxidanylbutyl)carbamothioyl]-4-nitro-benzamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)carbamothioyl]-4-nitro-benzamide CAS Name: N-[[2-(1-cyclohexenyl)ethyl-(4-hydroxybutyl)amino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)carbamothioyl]-4-nitrobenzamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl-(4-hydroxybutyl)thiocarbamoyl]-4-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=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O4S/c24-15-5-4-13-22(14-12-16-6-2-1-3-7-16)20(28)21-19(25)17-8-10-18(11-9-17)23(26)27/h6,8-11,24H,1-5,7,12-15H2,(H,21,25,28)