3-phenylpropyl 4-oxidanylidene-4-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamothioylamino]butanoate

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[[oxo-(3,4,5-trimethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[(3,4,5-trimethoxybenzoyl)amino]thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C24H29N3O7S MolecularWeight: 503.56796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C24H29N3O7S/c1-31-18-14-17(15-19(32-2)22(18)33-3)23(30)26-27-24(35)25-20(28)11-12-21(29)34-13-7-10-16-8-5-4-6-9-16/h4-6,8-9,14-15H,7,10-13H2,1-3H3,(H,26,30)(H2,25,27,28,35)