2-methoxyethyl 4-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[[4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[4-(isovalerylamino)benzoyl]amino]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C20H28N4O6S MolecularWeight: 452.52452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O6S/c1-13(2)12-17(26)21-15-6-4-14(5-7-15)19(28)23-24-20(31)22-16(25)8-9-18(27)30-11-10-29-3/h4-7,13H,8-12H2,1-3H3,(H,21,26)(H,23,28)(H2,22,24,25,31)