methyl 6-[[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]carbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-[[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]carbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]carbamothioylamino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[[[2-(1,3-benzothiazol-2-ylthio)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[[2-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]carbamothioylamino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[[2-(1,3-benzothiazol-2-ylthio)propanoylamino]thiocarbamoylamino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C21H17ClN4O3S4 MolecularWeight: 537.09768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)Cl)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C(=O)NNC(=S)NC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)Cl)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H17ClN4O3S4/c1-10(31-21-24-13-5-3-4-6-14(13)33-21)18(27)25-26-20(30)23-11-7-8-12-15(9-11)32-17(16(12)22)19(28)29-2/h3-10H,1-2H3,(H,25,27)(H2,23,26,30)