2-chloranyl-N-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-5-methylsulfanyl-benzamide

Systemtic Name: 2-chloranyl-N-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-5-methylsulfanyl-benzamide Openeye Name: 2-chloro-N-[2-(3,4-diethoxyanilino)-2-oxo-ethyl]-N-methyl-5-methylsulfanyl-benzamide CAS Name: 2-chloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-5-(methylthio)benzamide IUPAC Name: 2-chloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-5-methylsulfanylbenzamide Traditional Name: 2-chloro-N-[2-(3,4-diethoxyanilino)-2-keto-ethyl]-N-methyl-5-(methylthio)benzamide Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=C(C=CC(=C2)SC)Cl)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=C(C=CC(=C2)SC)Cl)OCC

InChI

InChI=1S/C21H25ClN2O4S/c1-5-27-18-10-7-14(11-19(18)28-6-2)23-20(25)13-24(3)21(26)16-12-15(29-4)8-9-17(16)22/h7-12H,5-6,13H2,1-4H3,(H,23,25)