methyl 4-[[2-(1,3-benzothiazol-2-ylamino)ethanoylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[2-(1,3-benzothiazol-2-ylamino)ethanoylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]carbamothioylamino]butanoate CAS Name: 4-[[[[2-(1,3-benzothiazol-2-ylamino)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]carbamothioylamino]butanoate Traditional Name: 4-[[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]thiocarbamoylamino]butyric acid methyl ester Formula: C15H19N5O3S2 MolecularWeight: 381.47306

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NNC(=O)CNC1=NC2=CC=CC=C2S1

Isomeric SMILES

COC(=O)CCCNC(=S)NNC(=O)CNC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C15H19N5O3S2/c1-23-13(22)7-4-8-16-14(24)20-19-12(21)9-17-15-18-10-5-2-3-6-11(10)25-15/h2-3,5-6H,4,7-9H2,1H3,(H,17,18)(H,19,21)(H2,16,20,24)