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

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 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 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[[[4-(pentanoylamino)benzoyl]amino]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[[4-(valerylamino)benzoyl]amino]thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C26H32N4O5S MolecularWeight: 512.62108

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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)OCCCC2=CC=CC=C2

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C26H32N4O5S/c1-2-3-11-22(31)27-21-14-12-20(13-15-21)25(34)29-30-26(36)28-23(32)16-17-24(33)35-18-7-10-19-8-5-4-6-9-19/h4-6,8-9,12-15H,2-3,7,10-11,16-18H2,1H3,(H,27,31)(H,29,34)(H2,28,30,32,36)