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

Systemtic Name: N-[[[4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]cyclohexanecarboxamide Openeye Name: N-[[[4-(2,5-dimethylanilino)-4-oxo-butanoyl]amino]carbamothioyl]cyclohexanecarboxamide CAS Name: N-[[[4-(2,5-dimethylanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]cyclohexanecarboxamide IUPAC Name: N-[[[4-(2,5-dimethylanilino)-4-oxobutanoyl]amino]carbamothioyl]cyclohexanecarboxamide Traditional Name: N-[[[4-(2,5-dimethylanilino)-4-keto-butanoyl]amino]thiocarbamoyl]cyclohexanecarboxamide Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)NNC(=S)NC(=O)C2CCCCC2

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)NNC(=S)NC(=O)C2CCCCC2

InChI

InChI=1S/C20H28N4O3S/c1-13-8-9-14(2)16(12-13)21-17(25)10-11-18(26)23-24-20(28)22-19(27)15-6-4-3-5-7-15/h8-9,12,15H,3-7,10-11H2,1-2H3,(H,21,25)(H,23,26)(H2,22,24,27,28)