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

Systemtic Name: propyl 4-oxidanylidene-4-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamothioylamino]butanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 4-oxo-4-[[[4-(pentanoylamino)benzoyl]amino]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[[4-(valerylamino)benzoyl]amino]thiocarbamoylamino]butyric acid propyl ester Formula: C20H28N4O5S MolecularWeight: 436.52512

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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)OCCC

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O5S/c1-3-5-6-16(25)21-15-9-7-14(8-10-15)19(28)23-24-20(30)22-17(26)11-12-18(27)29-13-4-2/h7-10H,3-6,11-13H2,1-2H3,(H,21,25)(H,23,28)(H2,22,24,26,30)