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

Systemtic Name: N-[[[4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[[4-(2,5-dimethylanilino)-4-oxo-butanoyl]amino]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[[4-(2,5-dimethylanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[[4-(2,5-dimethylanilino)-4-oxobutanoyl]amino]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[[4-(2,5-dimethylanilino)-4-keto-butanoyl]amino]thiocarbamoyl]-4-phenyl-benzamide Formula: C26H26N4O3S MolecularWeight: 474.57464

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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=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H26N4O3S/c1-17-8-9-18(2)22(16-17)27-23(31)14-15-24(32)29-30-26(34)28-25(33)21-12-10-20(11-13-21)19-6-4-3-5-7-19/h3-13,16H,14-15H2,1-2H3,(H,27,31)(H,29,32)(H2,28,30,33,34)