4-[2-[[(4-butylphenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[[(4-butylphenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[[(4-butylphenyl)-(2-thienyl)methyl]amino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[[(4-butylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[[(4-butylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[[(4-butylphenyl)-(2-thienyl)methyl]amino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C24H25N3O4S2 MolecularWeight: 483.603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C24H25N3O4S2/c1-2-3-5-16-7-9-17(10-8-16)23(21-6-4-13-32-21)26-22(28)15-33-20-12-11-18(24(25)29)14-19(20)27(30)31/h4,6-14,23H,2-3,5,15H2,1H3,(H2,25,29)(H,26,28)