methyl 4-[[(3-methoxy-4-propoxy-phenyl)carbonylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(3-methoxy-4-propoxy-phenyl)carbonylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(3-methoxy-4-propoxy-benzoyl)amino]carbamothioylamino]butanoate CAS Name: 4-[[[[(3-methoxy-4-propoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(3-methoxy-4-propoxybenzoyl)amino]carbamothioylamino]butanoate Traditional Name: 4-[[(3-methoxy-4-propoxy-benzoyl)amino]thiocarbamoylamino]butyric acid methyl ester Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NNC(=S)NCCCC(=O)OC)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NNC(=S)NCCCC(=O)OC)OC

InChI

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