3-[2-[4-[(2,6-dimethylphenyl)amino]-4-oxidanylidene-butyl]sulfanylethanoylamino]-N-methyl-benzamide

Systemtic Name: 3-[2-[4-[(2,6-dimethylphenyl)amino]-4-oxidanylidene-butyl]sulfanylethanoylamino]-N-methyl-benzamide Openeye Name: 3-[[2-[4-(2,6-dimethylanilino)-4-oxo-butyl]sulfanylacetyl]amino]-N-methyl-benzamide CAS Name: 3-[[2-[[4-(2,6-dimethylanilino)-4-oxobutyl]thio]-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 3-[[2-[4-(2,6-dimethylanilino)-4-oxobutyl]sulfanylacetyl]amino]-N-methylbenzamide Traditional Name: 3-[[2-[[4-(2,6-dimethylanilino)-4-keto-butyl]thio]acetyl]amino]-N-methyl-benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-15-7-4-8-16(2)21(15)25-19(26)11-6-12-29-14-20(27)24-18-10-5-9-17(13-18)22(28)23-3/h4-5,7-10,13H,6,11-12,14H2,1-3H3,(H,23,28)(H,24,27)(H,25,26)