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

Systemtic Name: 4-[2-[4-[(2,6-dimethylphenyl)amino]-4-oxidanylidene-butyl]sulfanylethanoylamino]benzamide Openeye Name: 4-[[2-[4-(2,6-dimethylanilino)-4-oxo-butyl]sulfanylacetyl]amino]benzamide CAS Name: 4-[[2-[[4-(2,6-dimethylanilino)-4-oxobutyl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[4-(2,6-dimethylanilino)-4-oxobutyl]sulfanylacetyl]amino]benzamide Traditional Name: 4-[[2-[[4-(2,6-dimethylanilino)-4-keto-butyl]thio]acetyl]amino]benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-14-5-3-6-15(2)20(14)24-18(25)7-4-12-28-13-19(26)23-17-10-8-16(9-11-17)21(22)27/h3,5-6,8-11H,4,7,12-13H2,1-2H3,(H2,22,27)(H,23,26)(H,24,25)