methyl 4-methyl-3-[2-[4-[(3-methylphenyl)amino]-4-oxidanylidene-butyl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-[4-[(3-methylphenyl)amino]-4-oxidanylidene-butyl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-[4-(3-methylanilino)-4-oxo-butyl]sulfanylacetyl]amino]benzoate CAS Name: 4-methyl-3-[[2-[[4-(3-methylanilino)-4-oxobutyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-[4-(3-methylanilino)-4-oxobutyl]sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[[4-keto-4-(m-toluidino)butyl]thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCCSCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCCSCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C

InChI

InChI=1S/C22H26N2O4S/c1-15-6-4-7-18(12-15)23-20(25)8-5-11-29-14-21(26)24-19-13-17(22(27)28-3)10-9-16(19)2/h4,6-7,9-10,12-13H,5,8,11,14H2,1-3H3,(H,23,25)(H,24,26)