3-chloranyl-N-[[[4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]benzamide

Systemtic Name: 3-chloranyl-N-[[[4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]benzamide Openeye Name: 3-chloro-N-[[[4-(2,5-dimethylanilino)-4-oxo-butanoyl]amino]carbamothioyl]benzamide CAS Name: 3-chloro-N-[[[4-(2,5-dimethylanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-N-[[[4-(2,5-dimethylanilino)-4-oxobutanoyl]amino]carbamothioyl]benzamide Traditional Name: 3-chloro-N-[[[4-(2,5-dimethylanilino)-4-keto-butanoyl]amino]thiocarbamoyl]benzamide Formula: C20H21ClN4O3S MolecularWeight: 432.92374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C20H21ClN4O3S/c1-12-6-7-13(2)16(10-12)22-17(26)8-9-18(27)24-25-20(29)23-19(28)14-4-3-5-15(21)11-14/h3-7,10-11H,8-9H2,1-2H3,(H,22,26)(H,24,27)(H2,23,25,28,29)