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

Systemtic Name: methyl 4-[[(phenylmethyl)carbamothioylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[(benzylcarbamothioylamino)carbamothioylamino]butanoate CAS Name: 4-[[[[[(phenylmethyl)amino]-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(benzylcarbamothioylamino)carbamothioylamino]butanoate Traditional Name: 4-[(benzylthiocarbamoylamino)thiocarbamoylamino]butyric acid methyl ester Formula: C14H20N4O2S2 MolecularWeight: 340.4642

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NNC(=S)NCC1=CC=CC=C1

Isomeric SMILES

COC(=O)CCCNC(=S)NNC(=S)NCC1=CC=CC=C1

InChI

InChI=1S/C14H20N4O2S2/c1-20-12(19)8-5-9-15-13(21)17-18-14(22)16-10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H2,15,17,21)(H2,16,18,22)