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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NNC(=O)CCC(=O)NC1=C(C=CC(=C1)C)C

Isomeric SMILES

CCCCC(=O)NC(=S)NNC(=O)CCC(=O)NC1=C(C=CC(=C1)C)C

InChI

InChI=1S/C18H26N4O3S/c1-4-5-6-15(23)20-18(26)22-21-17(25)10-9-16(24)19-14-11-12(2)7-8-13(14)3/h7-8,11H,4-6,9-10H2,1-3H3,(H,19,24)(H,21,25)(H2,20,22,23,26)