4-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(cyclohexylamino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O4S/c16-15(20)10-6-7-13(12(8-10)18(21)22)23-9-14(19)17-11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H2,16,20)(H,17,19)