methyl 4-[[2-(4-phenyl-1,3-thiazol-2-yl)ethanoylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[2-(4-phenyl-1,3-thiazol-2-yl)ethanoylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[[2-(4-phenylthiazol-2-yl)acetyl]amino]carbamothioylamino]butanoate CAS Name: 4-[[[[1-oxo-2-(4-phenyl-2-thiazolyl)ethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4-phenyl-1,3-thiazol-2-yl)acetyl]amino]carbamothioylamino]butanoate Traditional Name: 4-[[[2-(4-phenylthiazol-2-yl)acetyl]amino]thiocarbamoylamino]butyric acid methyl ester Formula: C17H20N4O3S2 MolecularWeight: 392.4957

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NNC(=O)CC1=NC(=CS1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCNC(=S)NNC(=O)CC1=NC(=CS1)C2=CC=CC=C2

InChI

InChI=1S/C17H20N4O3S2/c1-24-16(23)8-5-9-18-17(25)21-20-14(22)10-15-19-13(11-26-15)12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3,(H,20,22)(H2,18,21,25)