methyl 4-[[(3-methoxy-4-propan-2-yloxy-phenyl)carbonylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(3-methoxy-4-propan-2-yloxy-phenyl)carbonylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(4-isopropoxy-3-methoxy-benzoyl)amino]carbamothioylamino]butanoate CAS Name: 4-[[[[(3-methoxy-4-propan-2-yloxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamothioylamino]butanoate Traditional Name: 4-[[(4-isopropoxy-3-methoxy-benzoyl)amino]thiocarbamoylamino]butyric acid methyl ester Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)NNC(=S)NCCCC(=O)OC)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)NNC(=S)NCCCC(=O)OC)OC

InChI

InChI=1S/C17H25N3O5S/c1-11(2)25-13-8-7-12(10-14(13)23-3)16(22)19-20-17(26)18-9-5-6-15(21)24-4/h7-8,10-11H,5-6,9H2,1-4H3,(H,19,22)(H2,18,20,26)