methyl 3-[[2-[[4-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[2-[[4-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 3-[[[2-[4-[diethylamino(oxo)methyl]anilino]-2-oxoethyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]sulfanylmethyl]benzoate Traditional Name: 3-[[[2-[4-(diethylcarbamoyl)anilino]-2-keto-ethyl]thio]methyl]benzoic acid methyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CSCC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CSCC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C22H26N2O4S/c1-4-24(5-2)21(26)17-9-11-19(12-10-17)23-20(25)15-29-14-16-7-6-8-18(13-16)22(27)28-3/h6-13H,4-5,14-15H2,1-3H3,(H,23,25)