propyl 4-[[[4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[[[4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[[4-(2,5-dimethylanilino)-4-oxo-butanoyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[4-(2,5-dimethylanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[[4-(2,5-dimethylanilino)-4-oxobutanoyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[4-(2,5-dimethylanilino)-4-keto-butanoyl]amino]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C20H28N4O5S MolecularWeight: 436.52512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O5S/c1-4-11-29-19(28)10-9-17(26)22-20(30)24-23-18(27)8-7-16(25)21-15-12-13(2)5-6-14(15)3/h5-6,12H,4,7-11H2,1-3H3,(H,21,25)(H,23,27)(H2,22,24,26,30)