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

Systemtic Name: 4-[2-[(3-cyclopentyloxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[3-(cyclopentoxy)anilino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(3-cyclopentyloxyanilino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(3-cyclopentyloxyanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[3-(cyclopentoxy)anilino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=CC=CC(=C2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)OC2=CC=CC(=C2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5S/c21-20(25)13-8-9-18(17(10-13)23(26)27)29-12-19(24)22-14-4-3-7-16(11-14)28-15-5-1-2-6-15/h3-4,7-11,15H,1-2,5-6,12H2,(H2,21,25)(H,22,24)