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

Systemtic Name: N-[[[4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[[4-(2,5-dimethylanilino)-4-oxo-butanoyl]amino]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[[4-(2,5-dimethylanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[[4-(2,5-dimethylanilino)-4-oxobutanoyl]amino]carbamothioyl]-3-methylbutanamide Traditional Name: N-[[[4-(2,5-dimethylanilino)-4-keto-butanoyl]amino]thiocarbamoyl]-3-methyl-butyramide Formula: C18H26N4O3S MolecularWeight: 378.48904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O3S/c1-11(2)9-17(25)20-18(26)22-21-16(24)8-7-15(23)19-14-10-12(3)5-6-13(14)4/h5-6,10-11H,7-9H2,1-4H3,(H,19,23)(H,21,24)(H2,20,22,25,26)