2-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide

Systemtic Name: 2-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide Openeye Name: 2-[2-(3-methoxyanilino)-2-oxo-ethyl]sulfanyl-N-[3-[2-(2-thienyl)ethynyl]phenyl]benzamide CAS Name: 2-[[2-(3-methoxyanilino)-2-oxoethyl]thio]-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide IUPAC Name: 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide Traditional Name: 2-[[2-keto-2-(m-anisidino)ethyl]thio]-N-[3-[2-(2-thienyl)ethynyl]phenyl]benzamide Formula: C28H22N2O3S2 MolecularWeight: 498.61588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CSC2=CC=CC=C2C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CSC2=CC=CC=C2C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

InChI

InChI=1S/C28H22N2O3S2/c1-33-23-10-5-9-22(18-23)29-27(31)19-35-26-13-3-2-12-25(26)28(32)30-21-8-4-7-20(17-21)14-15-24-11-6-16-34-24/h2-13,16-18H,19H2,1H3,(H,29,31)(H,30,32)