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

Systemtic Name: methyl 4-[[(4-methoxyphenyl)carbamothioylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(4-methoxyphenyl)carbamothioylamino]carbamothioylamino]butanoate CAS Name: 4-[[[[(4-methoxyanilino)-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(4-methoxyphenyl)carbamothioylamino]carbamothioylamino]butanoate Traditional Name: 4-[[(4-methoxyphenyl)thiocarbamoylamino]thiocarbamoylamino]butyric acid methyl ester Formula: C14H20N4O3S2 MolecularWeight: 356.4636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O3S2/c1-20-11-7-5-10(6-8-11)16-14(23)18-17-13(22)15-9-3-4-12(19)21-2/h5-8H,3-4,9H2,1-2H3,(H2,15,17,22)(H2,16,18,23)