methyl 4-[[(4-methoxyphenyl)carbonylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(4-methoxyphenyl)carbonylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(4-methoxybenzoyl)amino]carbamothioylamino]butanoate CAS Name: 4-[[[[(4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(4-methoxybenzoyl)amino]carbamothioylamino]butanoate Traditional Name: 4-[(p-anisoylamino)thiocarbamoylamino]butyric acid methyl ester Formula: C14H19N3O4S MolecularWeight: 325.38336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NNC(=S)NCCCC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NNC(=S)NCCCC(=O)OC

InChI

InChI=1S/C14H19N3O4S/c1-20-11-7-5-10(6-8-11)13(19)16-17-14(22)15-9-3-4-12(18)21-2/h5-8H,3-4,9H2,1-2H3,(H,16,19)(H2,15,17,22)