methyl 2-[[2-[(4-fluorophenyl)methylsulfanyl]ethanoylamino]carbamothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[2-[(4-fluorophenyl)methylsulfanyl]ethanoylamino]carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[2-[(4-fluorophenyl)methylthio]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[[2-[(4-fluorobenzyl)thio]acetyl]amino]thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H18FN3O3S3 MolecularWeight: 427.536523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NNC(=O)CSCC2=CC=C(C=C2)F)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NNC(=O)CSCC2=CC=C(C=C2)F)C(=O)OC

InChI

InChI=1S/C17H18FN3O3S3/c1-10-7-13(16(23)24-2)15(27-10)19-17(25)21-20-14(22)9-26-8-11-3-5-12(18)6-4-11/h3-7H,8-9H2,1-2H3,(H,20,22)(H2,19,21,25)