N-(2-chloroethyl)-4,5-dimethoxy-2-(2-phenylsulfanylethanoylamino)benzamide

Systemtic Name: N-(2-chloroethyl)-4,5-dimethoxy-2-(2-phenylsulfanylethanoylamino)benzamide Openeye Name: N-(2-chloroethyl)-4,5-dimethoxy-2-[(2-phenylsulfanylacetyl)amino]benzamide CAS Name: N-(2-chloroethyl)-4,5-dimethoxy-2-[[1-oxo-2-(phenylthio)ethyl]amino]benzamide IUPAC Name: N-(2-chloroethyl)-4,5-dimethoxy-2-[(2-phenylsulfanylacetyl)amino]benzamide Traditional Name: N-(2-chloroethyl)-4,5-dimethoxy-2-[[2-(phenylthio)acetyl]amino]benzamide Formula: C19H21ClN2O4S MolecularWeight: 408.89904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NCCCl)NC(=O)CSC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NCCCl)NC(=O)CSC2=CC=CC=C2)OC

InChI

InChI=1S/C19H21ClN2O4S/c1-25-16-10-14(19(24)21-9-8-20)15(11-17(16)26-2)22-18(23)12-27-13-6-4-3-5-7-13/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,24)(H,22,23)