ethyl 4-[[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(1,3-benzothiazol-2-ylthio)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]carbamothioylamino]benzoate Traditional Name: 4-[[2-(1,3-benzothiazol-2-ylthio)propanoylamino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H20N4O3S3 MolecularWeight: 460.5928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C(C)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C(C)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H20N4O3S3/c1-3-27-18(26)13-8-10-14(11-9-13)21-19(28)24-23-17(25)12(2)29-20-22-15-6-4-5-7-16(15)30-20/h4-12H,3H2,1-2H3,(H,23,25)(H2,21,24,28)