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

Systemtic Name: 2-methoxyethyl 4-oxidanylidene-4-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamothioylamino]butanoate Openeye Name: 2-methoxyethyl 4-oxo-4-[[[4-(pentanoylamino)benzoyl]amino]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[[oxo-[4-(1-oxopentylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-oxo-4-[[[4-(pentanoylamino)benzoyl]amino]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[[4-(valerylamino)benzoyl]amino]thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C20H28N4O6S MolecularWeight: 452.52452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O6S/c1-3-4-5-16(25)21-15-8-6-14(7-9-15)19(28)23-24-20(31)22-17(26)10-11-18(27)30-13-12-29-2/h6-9H,3-5,10-13H2,1-2H3,(H,21,25)(H,23,28)(H2,22,24,26,31)