4-tert-butyl-N-[[[4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[[[4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[[[4-(2-chloroanilino)-4-oxo-butanoyl]amino]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[[4-(2-chloroanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[[[4-(2-chloroanilino)-4-oxobutanoyl]amino]carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[[[4-(2-chloroanilino)-4-keto-butanoyl]amino]thiocarbamoyl]benzamide Formula: C22H25ClN4O3S MolecularWeight: 460.9769

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CCC(=O)NC2=CC=CC=C2Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CCC(=O)NC2=CC=CC=C2Cl

InChI

InChI=1S/C22H25ClN4O3S/c1-22(2,3)15-10-8-14(9-11-15)20(30)25-21(31)27-26-19(29)13-12-18(28)24-17-7-5-4-6-16(17)23/h4-11H,12-13H2,1-3H3,(H,24,28)(H,26,29)(H2,25,27,30,31)