diethyl 5-[[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[[2-(1,3-benzothiazol-2-ylthio)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(1,3-benzothiazol-2-ylthio)propanoylamino]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H24N4O5S4 MolecularWeight: 552.70976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NNC(=O)C(C)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NNC(=O)C(C)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H24N4O5S4/c1-5-30-19(28)15-11(3)16(20(29)31-6-2)35-18(15)24-21(32)26-25-17(27)12(4)33-22-23-13-9-7-8-10-14(13)34-22/h7-10,12H,5-6H2,1-4H3,(H,25,27)(H2,24,26,32)