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

Systemtic Name: 4-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(cyclohexylmethylamino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(cyclohexylmethylamino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(cyclohexylmethylamino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4S/c17-16(21)12-6-7-14(13(8-12)19(22)23)24-10-15(20)18-9-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H2,17,21)(H,18,20)