N-[1,1-bis(oxidanylidene)thiolan-3-yl]-4-(cyclohexylamino)-N-methyl-3-nitro-benzamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-4-(cyclohexylamino)-N-methyl-3-nitro-benzamide Openeye Name: 4-(cyclohexylamino)-N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitro-benzamide CAS Name: 4-(cyclohexylamino)-N-(1,1-dioxo-3-thiolanyl)-N-methyl-3-nitrobenzamide IUPAC Name: 4-(cyclohexylamino)-N-(1,1-dioxothiolan-3-yl)-N-methyl-3-nitrobenzamide Traditional Name: 4-(cyclohexylamino)-N-(1,1-diketothiolan-3-yl)-N-methyl-3-nitro-benzamide Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(=O)C2=CC(=C(C=C2)NC3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(C1CCS(=O)(=O)C1)C(=O)C2=CC(=C(C=C2)NC3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O5S/c1-20(15-9-10-27(25,26)12-15)18(22)13-7-8-16(17(11-13)21(23)24)19-14-5-3-2-4-6-14/h7-8,11,14-15,19H,2-6,9-10,12H2,1H3