4-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2-methoxyphenyl)-3-nitro-benzamide

Systemtic Name: 4-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2-methoxyphenyl)-3-nitro-benzamide Openeye Name: N-(2-methoxyphenyl)-3-nitro-4-[2-oxo-2-(sec-butylamino)ethyl]sulfanyl-benzamide CAS Name: 4-[[2-(butan-2-ylamino)-2-oxoethyl]thio]-N-(2-methoxyphenyl)-3-nitrobenzamide IUPAC Name: 4-[2-(butan-2-ylamino)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)-3-nitrobenzamide Traditional Name: 4-[[2-keto-2-(sec-butylamino)ethyl]thio]-N-(2-methoxyphenyl)-3-nitro-benzamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2OC)[N+](=O)[O-]

Isomeric SMILES

CCC(C)NC(=O)CSC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2OC)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S/c1-4-13(2)21-19(24)12-29-18-10-9-14(11-16(18)23(26)27)20(25)22-15-7-5-6-8-17(15)28-3/h5-11,13H,4,12H2,1-3H3,(H,21,24)(H,22,25)