4-[2-[[2-(4-ethylpiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[[2-(4-ethylpiperazin-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[2-(4-ethylpiperazin-1-yl)anilino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[2-(4-ethyl-1-piperazinyl)anilino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[2-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[2-(4-ethylpiperazino)anilino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=CC=C2NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=CC=CC=C2NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O4S/c1-2-24-9-11-25(12-10-24)17-6-4-3-5-16(17)23-20(27)14-31-19-8-7-15(21(22)28)13-18(19)26(29)30/h3-8,13H,2,9-12,14H2,1H3,(H2,22,28)(H,23,27)