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

Systemtic Name: N-(2-methoxyphenyl)-4-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(isopentylamino)-2-oxo-ethyl]sulfanyl-N-(2-methoxyphenyl)-3-nitro-benzamide CAS Name: N-(2-methoxyphenyl)-4-[[2-(3-methylbutylamino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: N-(2-methoxyphenyl)-4-[2-(3-methylbutylamino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(isoamylamino)-2-keto-ethyl]thio]-N-(2-methoxyphenyl)-3-nitro-benzamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S/c1-14(2)10-11-22-20(25)13-30-19-9-8-15(12-17(19)24(27)28)21(26)23-16-6-4-5-7-18(16)29-3/h4-9,12,14H,10-11,13H2,1-3H3,(H,22,25)(H,23,26)